Geometry & MOs

Info

ID:	171765
PubChem CID:	75423307
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	4.1
IP(EA), eV:	-9.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(5-nitro-1,3-dihydroisoindol-2-yl)oxolan-2-one

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN(CCC#N)C2CCOCC2

DOS

IR

Vibrations