Geometry & MOs

Info

ID:

449368

PubChem CID:

135298017

Reduced:

FN8H15C23 (1)

Stoich.:

AB8C15D23 (1)

Weight, g/mol:

502.222957

ΔHf, kcal/mol:

187.16

Dipole, Da:

7.98

IP(EA), eV:

 -8.84(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/N=C23

DOS

IR

Vibrations