Geometry & MOs

Info

ID:

448067

PubChem CID:

135288154

Reduced:

SN8H14C21 (1)

Stoich.:

AB8C14D21 (1)

Weight, g/mol:

495.158978

ΔHf, kcal/mol:

237.67

Dipole, Da:

9.97

IP(EA), eV:

 -8.55(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)N)NN4)/N=C32

DOS

IR

Vibrations