Geometry & MOs

Info

ID:	135523
PubChem CID:	51885470
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	3.19
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)NC(=O)[C@H](C)Cl

DOS

IR

Vibrations