Geometry & MOs

Info

ID:	276834
PubChem CID:	103825425
Reduced:	NSCl2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	2.22
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

DOS

IR

Vibrations