Geometry & MOs

Info

ID:

447885

PubChem CID:

135286563

Reduced:

ON7H21C30 (1)

Stoich.:

AB7C21D30 (1)

Weight, g/mol:

521.19978

ΔHf, kcal/mol:

214.81

Dipole, Da:

4.55

IP(EA), eV:

 -8.99(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=NC=C7)/NN4

DOS

IR

Vibrations