Geometry & MOs

Info

ID:	29821
PubChem CID:	837578
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	3.59
IP(EA), eV:	-8.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=CC(=CC=C2)Cl)C

DOS

IR

Vibrations