Geometry & MOs

Info

ID:	26181
PubChem CID:	640208
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	320.10823
ΔH_f, kcal/mol:	-201.5
Dipole, Da:	3.68
IP(EA), eV:	-9.21(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)propyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCNCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O

DOS

IR

Vibrations