Geometry & MOs

Info

ID:	182612
PubChem CID:	76914309
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	322.9461
ΔH_f, kcal/mol:	-156.07
Dipole, Da:	9.31
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-bromo-1,6-dihydroimidazo[4,5-b]pyridin-2-ylidene)-3-chlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=C(C2=CC=CC=C2C=C1)C=CC(=O)O

DOS

IR

Vibrations