Geometry & MOs

Info

ID:	336424
PubChem CID:	127255431
Reduced:	BrF2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	-41.49
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CC2=NC(=C(N2C1)Br)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations