Geometry & MOs

Info

ID:

327907

PubChem CID:

126691292

Reduced:

OF2N5H19C23 (1)

Stoich.:

AB2C5D19E23 (1)

Weight, g/mol:

362.185509

ΔHf, kcal/mol:

-9.38

Dipole, Da:

3.92

IP(EA), eV:

 -9.69(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5-methyl-13-oxa-3,6,10-triazatricyclo[7.4.0.02,6]trideca-1,4,7,9-tetraene

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C3=C4C=C(C=CC4=NC=C3N=C2C(C5=CC=CC=N5)(F)F)C#N

DOS

IR

Vibrations