Geometry & MOs

Info

ID:	236915
PubChem CID:	92715936
Reduced:	NSO3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	5.16
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H]2CC(=O)NC3=C2SC=C3C4=CC=CC=C4OC

DOS

IR

Vibrations