Geometry & MOs

Info

ID:

447943

PubChem CID:

135287050

Reduced:

FON9H32C33 (1)

Stoich.:

ABC9D32E33 (1)

Weight, g/mol:

512.176087

ΔHf, kcal/mol:

118.86

Dipole, Da:

6.77

IP(EA), eV:

 -8.38(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C23)F

DOS

IR

Vibrations