Geometry & MOs

Info

ID:	137416
PubChem CID:	52205610
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	368.91869
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	4.7
IP(EA), eV:	-9.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[(2-bromo-4-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)C(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations