Geometry & MOs

Info

ID:	130747
PubChem CID:	51099053
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	5.36
IP(EA), eV:	-9.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)C(C)(C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations