Geometry & MOs

Info

ID:	137417
PubChem CID:	52205955
Reduced:	NOBr2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	18.37
Dipole, Da:	6.65
IP(EA), eV:	-8.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[(4-chloro-2-methoxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC=C2C=C(C=CC2=O)Br)Br

DOS

IR

Vibrations