Geometry & MOs

Info

ID:	354791
PubChem CID:	127287551
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	4.04
IP(EA), eV:	-8.95(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCC(C1)C(=O)N2CCC2

DOS

IR

Vibrations