Geometry & MOs

Info

ID:

444102

PubChem CID:

135261327

Reduced:

O2N7H27C30 (1)

Stoich.:

A2B7C27D30 (1)

Weight, g/mol:

453.171336

ΔHf, kcal/mol:

111.41

Dipole, Da:

9.88

IP(EA), eV:

 -8.55(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=COC=C7)/NN4

DOS

IR

Vibrations