Geometry & MOs

Info

ID:

444202

PubChem CID:

135261693

Reduced:

ON7H23C24 (1)

Stoich.:

AB7C23D24 (1)

Weight, g/mol:

450.12628

ΔHf, kcal/mol:

142.48

Dipole, Da:

3.65

IP(EA), eV:

 -8.01(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-(4-methylpyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations