Geometry & MOs

Info

ID:

308899

PubChem CID:

126531816

Reduced:

FON7C30H32 (1)

Stoich.:

ABC7D30E32 (1)

Weight, g/mol:

536.20845

ΔHf, kcal/mol:

85.49

Dipole, Da:

10.53

IP(EA), eV:

 -8.56(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7CCNCC7)NN5)/C=C43)F

DOS

IR

Vibrations