Geometry & MOs

Info

ID:	72210
PubChem CID:	48415927
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	76.59
Dipole, Da:	7.56
IP(EA), eV:	-8.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)C4=CC=CC=C4

DOS

IR

Vibrations