Geometry & MOs

Info

ID:	320492
PubChem CID:	126661413
Reduced:	FNO2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	443.103054
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	5.08
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1C2=CC=C(C=C2)F)OC)/C=C/3\CCCNC3=O

DOS

IR

Vibrations