Geometry & MOs

Info

ID:	381468
PubChem CID:	134972219
Reduced:	N2O4C15H27 (1)
Stoich.:	A2B4C15D27 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	5.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754061
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-azacyclohexadecane-2,16-dione

Drug info:

PubChemData

Smile

C1CCCCCC(C(=O)CCCC1)(CCC(=O)[NH3+])[N+](=O)[O-]

DOS

IR

Vibrations