Geometry & MOs

Info

ID:	274370
PubChem CID:	103808842
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	1.87
IP(EA), eV:	-8.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-methyl-4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)[C@H]2CCCCN2)OC

DOS

IR

Vibrations