Geometry & MOs

Info

ID:	242790
PubChem CID:	99206339
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	5.78
IP(EA), eV:	-8.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CNC(=O)C2=CNN3C2=NC(=O)C4=CC=CC=C43

DOS

IR

Vibrations