Geometry & MOs

Info

ID:	29885
PubChem CID:	838006
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-94.89
Dipole, Da:	4.8
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-hydroxyphenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)NC1=C(C=CC(=C1)Cl)O

DOS

IR

Vibrations