Geometry & MOs

Info

ID:

444193

PubChem CID:

135261655

Reduced:

FO2N7C39H40 (1)

Stoich.:

AB2C7D39E40 (1)

Weight, g/mol:

436.144787

ΔHf, kcal/mol:

31.9

Dipole, Da:

3.33

IP(EA), eV:

 -8.52(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)indol-2-ylidene]-5-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CC(=CC(=C7)F)OCCN8CCCC8)N=C3

DOS

IR

Vibrations