Geometry & MOs

Info

ID:

447861

PubChem CID:

135286412

Reduced:

FO2N9C37H38 (1)

Stoich.:

AB2C9D37E38 (1)

Weight, g/mol:

439.155686

ΔHf, kcal/mol:

62.44

Dipole, Da:

9.95

IP(EA), eV:

 -8.55(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=CC(=CN=C7)NC(=O)CC8CCNCC8)/C=C43)F

DOS

IR

Vibrations