Geometry & MOs

Info

ID:	85579
PubChem CID:	49877185
Reduced:	ClNOC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	488.21048
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.831824
Charge, e:	-1

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one;chloride

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(C)(C)CO.[Cl-]

DOS

IR

Vibrations