Geometry & MOs

Info

ID:	205833
PubChem CID:	80163508
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	9.79
IP(EA), eV:	-9.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-nitro-1H-benzimidazol-2-yl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CCC(C)(CO)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations