Geometry & MOs

Info

ID:	320512
PubChem CID:	126661531
Reduced:	NOF3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	427.132605
ΔH_f, kcal/mol:	-122.6
Dipole, Da:	3.69
IP(EA), eV:	-9.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-2-methylphenyl]-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1/C=C(\C)/C(=O)NCC=C)F)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations