Geometry & MOs

Info

ID:

449197

PubChem CID:

135296743

Reduced:

FON7H28C31 (1)

Stoich.:

ABC7D28E31 (1)

Weight, g/mol:

409.145122

ΔHf, kcal/mol:

81.08

Dipole, Da:

10.86

IP(EA), eV:

 -8.64(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)/C=C23

DOS

IR

Vibrations