Geometry & MOs

Info

ID:	339328
PubChem CID:	127261162
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	5.65
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-prop-2-enoxybenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)N)OCC=C

DOS

IR

Vibrations