Geometry & MOs

Info

ID:	276808
PubChem CID:	103825353
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	4.94
IP(EA), eV:	-10.17(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations