Geometry & MOs

Info

ID:

432935

PubChem CID:

135173072

Reduced:

ON9C26H27 (1)

Stoich.:

AB9C26D27 (1)

Weight, g/mol:

508.213536

ΔHf, kcal/mol:

158.71

Dipole, Da:

8.32

IP(EA), eV:

 -7.97(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(C7CC7)O)/N=C23

DOS

IR

Vibrations