Geometry & MOs

Info

ID:	57063
PubChem CID:	22395286
Reduced:	N2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	334.99572
ΔH_f, kcal/mol:	64.89
Dipole, Da:	4.45
IP(EA), eV:	-8.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-bromoanilino)-3-(3-fluorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(C)/C=C/C1=CC=CC=C1C#N

DOS

IR

Vibrations