Geometry & MOs

Info

ID:

178771

PubChem CID:

76379227

Reduced:

NO9C48H91 (1)

Stoich.:

AB9C48D91 (1)

Weight, g/mol:

437.173742

ΔHf, kcal/mol:

-596.06

Dipole, Da:

5.09

IP(EA), eV:

 -10.34(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O)CO)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations