Geometry & MOs

Info

ID:

59448

PubChem CID:

24874879

Reduced:

O3N9H21C23 (1)

Stoich.:

A3B9C21D23 (1)

Weight, g/mol:

460.197137

ΔHf, kcal/mol:

67.08

Dipole, Da:

4.52

IP(EA), eV:

 -8.83(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(3-methylpyridin-2-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C5=C(C=CC=N5)C#N)OC

DOS

IR

Vibrations