Geometry & MOs

Info

ID:

444129

PubChem CID:

135261426

Reduced:

FO2N7H26C29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

452.139702

ΔHf, kcal/mol:

85.81

Dipole, Da:

9.1

IP(EA), eV:

 -8.63(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OC)/C=C32)F

DOS

IR

Vibrations