Geometry & MOs

Info

ID:	169914
PubChem CID:	75166449
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	388.188589
ΔH_f, kcal/mol:	-198.96
Dipole, Da:	4.42
IP(EA), eV:	-10.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dihydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C1CC2(C=C(C(=O)CC2(O1)OC)CC=C)O)O

DOS

IR

Vibrations