Geometry & MOs

Info

ID:	271443
PubChem CID:	103678935
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	313.124485
ΔH_f, kcal/mol:	-231.26
Dipole, Da:	4.13
IP(EA), eV:	-10.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations