Geometry & MOs

Info

ID:	376464
PubChem CID:	134222478
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-78.01
Dipole, Da:	6.65
IP(EA), eV:	-10.77(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one

Drug info:

PubChemData

Smile

CC1CC2CC1C3C2C4CC3C5C4OC(=O)O5

DOS

IR

Vibrations