Geometry & MOs

Info

ID:

447913

PubChem CID:

135286749

Reduced:

N8H16C23 (1)

Stoich.:

A8B16C23 (1)

Weight, g/mol:

549.194694

ΔHf, kcal/mol:

225.92

Dipole, Da:

7.36

IP(EA), eV:

 -8.74(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations