5-{[Bis(2-Chloroethyl)Amino]Methyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H15Cl2N3O2++
IUPAC Name 5-[bis(2-chloroethyl)aminomethyl]-1h-pyrimidine-1,3-diium-2,4-dione
Molecular Mass 268.140 g·mol−1
Heat of Formation -438.2 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 287.74 Å 3
Surface Area 247.58 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey DSNDKLPCPVXPMQ-UHFFFAOYSA-P
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Elements H C N O Cl