Geometry & MOs

Info

ID:

444095

PubChem CID:

135261311

Reduced:

ON8H24C25 (1)

Stoich.:

AB8C24D25 (1)

Weight, g/mol:

489.202556

ΔHf, kcal/mol:

132.34

Dipole, Da:

9.79

IP(EA), eV:

 -8.83(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C=NC=CC6=N5)/NN4

DOS

IR

Vibrations