Geometry & MOs

Info

ID:

308837

PubChem CID:

126522866

Reduced:

ON7H25C30 (1)

Stoich.:

AB7C25D30 (1)

Weight, g/mol:

492.173231

ΔHf, kcal/mol:

155.06

Dipole, Da:

5.34

IP(EA), eV:

 -8.63(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-[5-(ethylaminomethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CN=CC=C7

DOS

IR

Vibrations