Geometry & MOs

Info

ID:	39243
PubChem CID:	8139969
Reduced:	ClN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003657
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations