Geometry & MOs

Info

ID:	399378
PubChem CID:	135039966
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	12.58
Dipole, Da:	8.2
IP(EA), eV:	-9.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-7,7-dimethyl-5-oxo-6,8-dihydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C=CNCCCN=[N+]=[N-]

DOS

IR

Vibrations