Geometry & MOs

Info

ID:

308749

PubChem CID:

126522445

Reduced:

FON9C36H38 (1)

Stoich.:

ABC9D36E38 (1)

Weight, g/mol:

383.095315

ΔHf, kcal/mol:

95.52

Dipole, Da:

7.49

IP(EA), eV:

 -8.55(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CC7CCCCC7)/C=C23)F

DOS

IR

Vibrations