Geometry & MOs

Info

ID:	39140
PubChem CID:	8139783
Reduced:	ClN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	6.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992412
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations