Geometry & MOs

Info

ID:	134516
PubChem CID:	51709939
Reduced:	ClN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	390.17102
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021012
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3,4-diethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+](C)C)OCC

DOS

IR

Vibrations