Geometry & MOs

Info

ID:

444098

PubChem CID:

135261318

Reduced:

FON7H20C31 (1)

Stoich.:

ABC7D20E31 (1)

Weight, g/mol:

423.160772

ΔHf, kcal/mol:

154.66

Dipole, Da:

9.0

IP(EA), eV:

 -8.6(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations