Geometry & MOs

Info

ID:	338895
PubChem CID:	127259906
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	326.191566
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	1.79
IP(EA), eV:	-9.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-propyloctane-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)OC2=CC=CC(=C2)CO

DOS

IR

Vibrations