Geometry & MOs

Info

ID:	270988
PubChem CID:	103639101
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	333.01645
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	3.65
IP(EA), eV:	-9.0(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-bromo-2-methylphenyl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations