Geometry & MOs

Info

ID:	380555
PubChem CID:	134971037
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	2.49
IP(EA), eV:	-8.64(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5R)-5-(cyclohexen-1-yl)-2-(3-hydroxypropyl)-3-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H](O[C@@H]1CCCOCC2=CC=C(C=C2)OC)C3=CCCCC3)O

DOS

IR

Vibrations