Geometry & MOs

Info

ID:	39351
PubChem CID:	8140433
Reduced:	SN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002328
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations