Geometry & MOs

Info

ID:	382157
PubChem CID:	134973127
Reduced:	C25H34 (1)
Stoich.:	A25B34 (1)
Weight, g/mol:	288.120903
ΔH_f, kcal/mol:	40.5
Dipole, Da:	1.54
IP(EA), eV:	-9.07(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5R)-2,5-diacetyloxy-3-hydroxycyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C/C=C(/C=C)\C(=C/CCC1=CC=CC=C1)\C=C

DOS

IR

Vibrations