Geometry & MOs

Info

ID:	360573
PubChem CID:	127301218
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	0.77
Dipole, Da:	5.94
IP(EA), eV:	-9.03(-0.24)
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)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations