Geometry & MOs

Info

ID:

308961

PubChem CID:

126532926

Reduced:

FON7C28H30 (1)

Stoich.:

ABC7D28E30 (1)

Weight, g/mol:

625.260151

ΔHf, kcal/mol:

80.97

Dipole, Da:

7.82

IP(EA), eV:

 -8.7(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6CCNCC6)/C=C23)F

DOS

IR

Vibrations