Geometry & MOs

Info

ID:	221843
PubChem CID:	85291220
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	5.9
IP(EA), eV:	-8.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,11,11-trimethyl-4,7-dioxatetracyclo[8.4.0.02,6.06,8]tetradecan-3-ol

Drug info:

PubChemData

Smile

CC1C2CCC3(C=CCC(C3C2OC1=O)(C)O)C

DOS

IR

Vibrations