Geometry & MOs

Info

ID:

319898

PubChem CID:

126657514

Reduced:

O2N9C24H25 (1)

Stoich.:

A2B9C24D25 (1)

Weight, g/mol:

492.182235

ΔHf, kcal/mol:

115.63

Dipole, Da:

10.25

IP(EA), eV:

 -8.75(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N/C(=C/C=C(\C)/C1=CC\2=C(NN/C2=C/3\N=C4C=NC=C(C4=N3)C(=O)N(C)C)N=C1)/N=C

DOS

IR

Vibrations