Geometry & MOs

Info

ID:	309543
PubChem CID:	126547630
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	264.005222
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	1.96
IP(EA), eV:	-10.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-4,6-dinitrocyclohexa-1,5-diene-1-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C=N)/C

DOS

IR

Vibrations