Geometry & MOs

Info

ID:	382575
PubChem CID:	134973822
Reduced:	O7C17H20 (1)
Stoich.:	A7B17C20 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-254.16
Dipole, Da:	6.07
IP(EA), eV:	-10.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-2-hydroxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undec-5-en-4-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@@H]1[C@H](C=C(C[C@@]12C(=CC(=O)O2)OC)C=O)O)/C

DOS

IR

Vibrations