Geometry & MOs

Info

ID:	18256
PubChem CID:	539193
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	1.84
IP(EA), eV:	-9.14(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1C2C(OCC1(CC=C2C)COC(=O)C)C

DOS

IR

Vibrations