Geometry & MOs

Info

ID:

309015

PubChem CID:

126534657

Reduced:

FO2N9C35H36 (1)

Stoich.:

AB2C9D35E36 (1)

Weight, g/mol:

474.228043

ΔHf, kcal/mol:

97.94

Dipole, Da:

3.29

IP(EA), eV:

 -8.63(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylimidazol-1-yl)indol-2-ylidene]-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CC=NC4=N/C(=C\5/C6=C(C=CC(=N6)C7=CC(=CN=C7)OCCN8CCCC8)NN5)/N=C34)F

DOS

IR

Vibrations