Geometry & MOs

Info

ID:	137418
PubChem CID:	52205956
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	376.94299
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	6.31
IP(EA), eV:	-8.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[[4-chloro-3-(trifluoromethyl)anilino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC=C2C=C(C=CC2=O)Br

DOS

IR

Vibrations