Geometry & MOs

Info

ID:

319917

PubChem CID:

126657571

Reduced:

ON8C30H32 (1)

Stoich.:

AB8C30D32 (1)

Weight, g/mol:

551.210344

ΔHf, kcal/mol:

152.6

Dipole, Da:

4.14

IP(EA), eV:

 -8.01(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]benzimidazol-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC7C(O7)C8CCCC8)/N=C32

DOS

IR

Vibrations