Geometry & MOs

Info

ID:	52145
PubChem CID:	12014935
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	1.15
IP(EA), eV:	-9.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-hexyl-5-phenyloxolan-2-one

Drug info:

PubChemData

Smile

CCCCCC[C@H](/C=C/OC)[C@H](C1=CC=CC=C1)O

DOS

IR

Vibrations