Geometry & MOs

Info

ID:

179443

PubChem CID:

76483688

Reduced:

N4O7C28H37 (1)

Stoich.:

A4B7C28D37 (1)

Weight, g/mol:

469.139106

ΔHf, kcal/mol:

-262.42

Dipole, Da:

3.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761020

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC[N+]1(C(C(CCC2=CC=CC=C2)O)N(C(=O)C(CC(=O)N)N)C(=O)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations