Geometry & MOs

Info

ID:	366697
PubChem CID:	127320226
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	0.65
IP(EA), eV:	-8.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzylpiperidin-4-yl)-methylamino]-N-(1-cyanocyclohexyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC(=O)NC1CCCCC1)C2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations