Geometry & MOs

Info

ID:	30350
PubChem CID:	841179
Reduced:	N2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	301.123342
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	9.36
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations