Geometry & MOs

Info

ID:	178431
PubChem CID:	76330157
Reduced:	NOCl2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	385.048378
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	3.32
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(2,3-dichlorophenoxy)-N-methyl-1-phenylethanamine;oxalic acid

Drug info:

PubChemData

Smile

CC(COC1=C(C=C(C=C1)Cl)Cl)NC

DOS

IR

Vibrations