Geometry & MOs

Info

ID:	18865
PubChem CID:	549804
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	3.94
IP(EA), eV:	-10.08(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)C1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations