Geometry & MOs

Info

ID:	153531
PubChem CID:	56312770
Reduced:	FNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	315.143471
ΔH_f, kcal/mol:	-156.5
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CC=C2F

DOS

IR

Vibrations