Geometry & MOs

Info

ID:	150065
PubChem CID:	53789750
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	2.28
IP(EA), eV:	-9.84(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-3,3-dimethyl-6-nitro-1,2-dihydroindene-1,2-diol

Drug info:

PubChemData

Smile

CCNC(=O)CCC(=O)OCC

DOS

IR

Vibrations