Geometry & MOs

Info

ID:	220810
PubChem CID:	85240069
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	272.10823
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	2.82
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylmethoxypentan-2-yl methanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C(=C)CC(=CCOCC=C)C1=CC=CC=C1

DOS

IR

Vibrations