Geometry & MOs

Info

ID:	17712
PubChem CID:	514075
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	5.47
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(2-nitrophenoxy)hexyl]heptane-3,5-dione

Drug info:

PubChemData

Smile

CCC(=O)C(CCCCCCOC1=CC=CC=C1[N+](=O)[O-])C(=O)CC

DOS

IR

Vibrations