Geometry & MOs

Info

ID:

447966

PubChem CID:

135287165

Reduced:

SN7H23C26 (1)

Stoich.:

AB7C23D26 (1)

Weight, g/mol:

472.212393

ΔHf, kcal/mol:

190.42

Dipole, Da:

7.49

IP(EA), eV:

 -8.68(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(C)C)/C=C23

DOS

IR

Vibrations