Geometry & MOs

Info

ID:	387477
PubChem CID:	134985518
Reduced:	N2O5C6H10 (1)
Stoich.:	A2B5C6D10 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	3.45
IP(EA), eV:	-10.22(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-3-nitropentanenitrile

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)(N=O)[N+](=O)[O-]

DOS

IR

Vibrations