Geometry & MOs

Info

ID:

186009

PubChem CID:

77378439

Reduced:

FO4N5C18H24 (1)

Stoich.:

AB4C5D18E24 (1)

Weight, g/mol:

522.226506

ΔHf, kcal/mol:

-131.93

Dipole, Da:

6.72

IP(EA), eV:

 -9.82(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-oxo-6H-imidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=NOC(=N1)C2=C3C(=O)N(C4CC(CCC4N3C=N2)F)CCOC)O

DOS

IR

Vibrations