Geometry & MOs

Info

ID:	339332
PubChem CID:	127261166
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	300.13953
ΔH_f, kcal/mol:	-90.0
Dipole, Da:	1.58
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hexoxy-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC=C1OC=C

DOS

IR

Vibrations