Geometry & MOs

Info

ID:

309672

PubChem CID:

126553749

Reduced:

Cl2O2N7H21C26 (1)

Stoich.:

A2B2C7D21E26 (1)

Weight, g/mol:

523.179044

ΔHf, kcal/mol:

72.8

Dipole, Da:

4.73

IP(EA), eV:

 -8.9(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[2-(dimethylamino)ethoxy]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=NC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(NN5)Cl

DOS

IR

Vibrations