Geometry & MOs

Info

ID:

447960

PubChem CID:

135287150

Reduced:

ON8H22C27 (1)

Stoich.:

AB8C22D27 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

167.68

Dipole, Da:

9.96

IP(EA), eV:

 -8.91(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations