Geometry & MOs

Info

ID:	203224
PubChem CID:	79795539
Reduced:	OF3N3H8C13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	303.00072
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	5.31
IP(EA), eV:	-9.2(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1)N=C(N2)C3=CC(=C(C(=C3F)O)F)F

DOS

IR

Vibrations