Geometry & MOs

Info

ID:	128494
PubChem CID:	51047100
Reduced:	BrFNOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	322.97125
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	4.06
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations