Geometry & MOs

Info

ID:	29886
PubChem CID:	838007
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	225.092042
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	4.67
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-chloro-2-methylphenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations