Geometry & MOs

Info

ID:

447878

PubChem CID:

135286514

Reduced:

FON7H26C30 (1)

Stoich.:

ABC7D26E30 (1)

Weight, g/mol:

525.171336

ΔHf, kcal/mol:

120.7

Dipole, Da:

2.78

IP(EA), eV:

 -8.64(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F)N=C3

DOS

IR

Vibrations