Geometry & MOs

Info

ID:	9861
PubChem CID:	94021
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	4.93
IP(EA), eV:	-9.6(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl acetate

Drug info:

PubChemData

Smile

CC(COC(=O)C)C1CCC2(C(C1)O2)C

DOS

IR

Vibrations