Geometry & MOs

Info

ID:	128493
PubChem CID:	51047054
Reduced:	ClNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	307.0008
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	6.11
IP(EA), eV:	-8.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-bromo-6-[(4-fluoro-3-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N/C=C\2/C=C(C=CC2=O)Cl

DOS

IR

Vibrations