Geometry & MOs

Info

ID:

447884

PubChem CID:

135286562

Reduced:

FON8C34H35 (1)

Stoich.:

ABC8D34E35 (1)

Weight, g/mol:

495.180758

ΔHf, kcal/mol:

111.56

Dipole, Da:

8.82

IP(EA), eV:

 -8.78(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(5-phenylmethoxypyridin-3-yl)-3-(4-pyridin-4-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCCCC7)/C=C23)F

DOS

IR

Vibrations