Geometry & MOs

Info

ID:	197002
PubChem CID:	78907948
Reduced:	FNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-125.75
Dipole, Da:	4.44
IP(EA), eV:	-9.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCCOC1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations