Geometry & MOs

Info

ID:

447855

PubChem CID:

135286369

Reduced:

ON8H26C29 (1)

Stoich.:

AB8C26D29 (1)

Weight, g/mol:

491.152829

ΔHf, kcal/mol:

150.46

Dipole, Da:

10.91

IP(EA), eV:

 -8.63(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CN=CC=C6)N=C2

DOS

IR

Vibrations