Geometry & MOs

Info

ID:

308871

PubChem CID:

126531704

Reduced:

O3N8H22C28 (1)

Stoich.:

A3B8C22D28 (1)

Weight, g/mol:

491.218206

ΔHf, kcal/mol:

111.18

Dipole, Da:

5.61

IP(EA), eV:

 -8.52(-2.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations