Geometry & MOs

Info

ID:	138456
PubChem CID:	52369181
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	329.246713
ΔH_f, kcal/mol:	-16.37
Dipole, Da:	7.35
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)NC3=NC=CS3

DOS

IR

Vibrations