Geometry & MOs

Info

ID:	85634
PubChem CID:	49877811
Reduced:	N2O2H20C27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	398.92925
ΔH_f, kcal/mol:	83.35
Dipole, Da:	7.0
IP(EA), eV:	-8.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2,4-dibromo-6-[(2-hydroxy-3,5-dimethylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C=CCC1=CC=C/C(=C/NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)/C1=O

DOS

IR

Vibrations