Geometry & MOs

Info

ID:

447835

PubChem CID:

135286130

Reduced:

ON8C31H34 (1)

Stoich.:

AB8C31D34 (1)

Weight, g/mol:

592.271051

ΔHf, kcal/mol:

107.52

Dipole, Da:

9.1

IP(EA), eV:

 -8.12(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6N7CCCCC7)N=C3

DOS

IR

Vibrations