Geometry & MOs

Info

ID:	360578
PubChem CID:	127301223
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	385.19026
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	1.02
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations