Geometry & MOs

Info

ID:

444170

PubChem CID:

135261564

Reduced:

FON7H22C28 (1)

Stoich.:

ABC7D22E28 (1)

Weight, g/mol:

514.222957

ΔHf, kcal/mol:

107.86

Dipole, Da:

10.4

IP(EA), eV:

 -8.64(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(C=C6)F)/NN3

DOS

IR

Vibrations