Geometry & MOs

Info

ID:

447931

PubChem CID:

135286922

Reduced:

N9H27C29 (1)

Stoich.:

A9B27C29 (1)

Weight, g/mol:

542.163729

ΔHf, kcal/mol:

224.44

Dipole, Da:

13.77

IP(EA), eV:

 -8.78(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(5-methylthiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C/5\N=C6C=NC=C(C6=N5)C7=CN=CC=C7

DOS

IR

Vibrations