{
"ark": "ark:/c7614/q4nc5tc0x",
"cas": null,
"chemspider_id": "",
"doi": "10.17614/Q4NC5TC0X",
"elements": [
"H",
"B"
],
"exact mass": 77.14190775,
"formula": "B6H11",
"inchi": "InChI=1S/B4H6.B2H4/c1-3-4-2;1-2/h3-4H,1-2H2;1H,2H3\n",
"inchikey": "UPRFHWMASZJFJN-UHFFFAOYSA-N",
"iupac_name": "(Z)-boranyl(boranylboranuidylidene)boranuide; λ2-boranylboranuide",
"molecular mass": 75.9533,
"name": "(Z)-boranyl(boranylboranuidylidene)boranuide; λ2-boranylboranuide",
"pm7": {
"alpha": [
"63.557761",
"0.559035",
"2.328299",
"0.559035",
"61.077202",
"0.267660",
"2.328299",
"0.267660",
"39.362839"
],
"dipole": [
"-3.540",
"0.594",
"-1.275"
],
"dipoleMoment": 3.809,
"heatOfFormation": 100.48285,
"homo": -9.841,
"lumo": -2.782,
"orbitals": [
"-22.90731",
"-18.87721",
"-18.02343",
"-15.50680",
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"-14.25784",
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"1.43258",
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"2.01366",
"2.16829",
"5.09447",
"5.42341",
"5.48648",
"5.69277",
"6.54354",
"6.65476"
],
"polarizability": 8.100398,
"rotational": [
"0.16591823",
"0.16565426",
"0.10020724"
],
"surfaceArea": 131.85,
"volume": 125.92
},
"pointGroup": "C1",
"pubchem_cid": "",
"shortdoi": "10/f3fk6q",
"smiles": "B/[BH]=[BH]\\B.B[BH3]",
"synonyms": "",
"tags": [],
"wiki": ""
}