Geometry & MOs

Info

ID:	153626
PubChem CID:	56312896
Reduced:	BrFNO3C20H21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	327.163457
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	4.96
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CC2=C(C=C1Br)OCCO2)C3=CC=CC=C3F

DOS

IR

Vibrations