Geometry & MOs

Info

ID:	298705
PubChem CID:	117654130
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	518.190045
ΔH_f, kcal/mol:	39.34
Dipole, Da:	2.97
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dinitrooxy-2-[2-phenyl-2-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]octanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)N=[N+]=[N-]

DOS

IR

Vibrations