Geometry & MOs

Info

ID:	340498
PubChem CID:	127262509
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	248.027393
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	3.11
IP(EA), eV:	-8.9(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-chloro-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)OC2=CC=C(C=C2)C3CCCC3

DOS

IR

Vibrations