Geometry & MOs

Info

ID:	59782
PubChem CID:	24896906
Reduced:	ClNO4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	346.215747
ΔH_f, kcal/mol:	-43.63
Dipole, Da:	3.73
IP(EA), eV:	-10.6(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)OCl)[N+](=O)[O-]

DOS

IR

Vibrations