Geometry & MOs

Info

ID:	360572
PubChem CID:	127301217
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	4.24
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1-cyanocyclohexyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)CC4=CC(=CC5=C4OCOC5)F

DOS

IR

Vibrations