Geometry & MOs

Info

ID:	225981
PubChem CID:	87246531
Reduced:	NC2H3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	339.97782
ΔH_f, kcal/mol:	51.37
Dipole, Da:	0.89
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(E)-2-(2-chloro-6-fluorophenyl)ethylideneamino]aniline

Drug info:

PubChemData

Smile

CCC1=C(C=CC=N1)/C(=N\N)/N

DOS

IR

Vibrations