Geometry & MOs

Info

ID:	354742
PubChem CID:	127287502
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	3.46
IP(EA), eV:	-8.87(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NC2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations