Geometry & MOs

Info

ID:	48946
PubChem CID:	11528508
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.097666
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	1.15
IP(EA), eV:	-9.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl methanesulfonate

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@H]1O)C2=CC=CC=C2)CO

DOS

IR

Vibrations