39,42-Dimethyl-20,31-Diaza-1,12-Diazoniapentacyclo[30.6.2.2~12,19~.0~13,18~.0~33,38~]Dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-Decaene

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Formula C40H45N4
IUPAC Name buta-1,3-diyne; (r)-buta-1,3-diynyl-[(e)-[(1r,3r,4r)-5-but-1-en-3-ynylidene-3-methyl-3-azabicyclo[2.2.0]hexan-2-ylidene]methyl]-methanidyl-ammonium; n-[(z)-but-1-en-3-ynyl]-n'-methanidyl-n-[(e)-1-methylbut-1-enyl]hex-5-en-3-ynamidine; cyclopropene; hydron; λ2-carbane
Molecular Mass 603.987 g·mol−1
Heat of Formation 2343.2 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 921.85 Å 3
Surface Area 606.09 Å 2
HOMO Energy -7.02 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey ZFWYZPJOMMIRAM-WWUXXHOVSA-P
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Elements H C N