Geometry & MOs

Info

ID:

449875

PubChem CID:

135302204

Reduced:

FON8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

517.239022

ΔHf, kcal/mol:

114.43

Dipole, Da:

6.63

IP(EA), eV:

 -8.61(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32)F

DOS

IR

Vibrations