Geometry & MOs

Info

ID:

447941

PubChem CID:

135287040

Reduced:

FON7H22C28 (1)

Stoich.:

ABC7D22E28 (1)

Weight, g/mol:

509.174628

ΔHf, kcal/mol:

108.94

Dipole, Da:

10.34

IP(EA), eV:

 -8.9(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[7-(5-methylthiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]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=CC=C(C=C6)F)/NN3

DOS

IR

Vibrations