Geometry & MOs

Info

ID:	128495
PubChem CID:	51047101
Reduced:	BrClNOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	368.91869
ΔH_f, kcal/mol:	6.58
Dipole, Da:	6.86
IP(EA), eV:	-8.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/C=C\2/C=C(C=CC2=O)Br)Cl

DOS

IR

Vibrations