Geometry & MOs

Info

ID:	29809
PubChem CID:	837461
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	4.2
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidophenyl)-2-(2-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1O[C@H](C)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations