Geometry & MOs

Info

ID:	290368
PubChem CID:	104435091
Reduced:	ClON5C14H22 (1)
Stoich.:	ABC5D14E22 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	0.01
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCN1C(=NC2=C1N(N=C2C)C)CCl

DOS

IR

Vibrations