Geometry & MOs

Info

ID:

424074

PubChem CID:

135121197

Reduced:

ClO3F4N5H14C20 (1)

Stoich.:

AB3C4D5E14F20 (1)

Weight, g/mol:

447.182588

ΔHf, kcal/mol:

-188.05

Dipole, Da:

2.63

IP(EA), eV:

 -9.84(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[6-(2-chlorophenyl)-4-methoxyimidazo[4,5-c]pyridin-2-ylidene]-2-methylspiro[4,5-dihydro-1H-cyclopenta[c]pyrazole-6,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC(C1C=C(C(=O)N=N1)CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(C)(F)F)(F)F

DOS

IR

Vibrations