Geometry & MOs

Info

ID:	273575
PubChem CID:	103771404
Reduced:	FNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-137.78
Dipole, Da:	3.01
IP(EA), eV:	-9.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC=C1F)O

DOS

IR

Vibrations