Geometry & MOs

Info

ID:	29884
PubChem CID:	837996
Reduced:	ClNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	8.76
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations