Geometry & MOs

Info

ID:	215970
PubChem CID:	85085521
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	1.27
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,11-trimethyltricyclo[6.3.0.01,5]undecan-6-one

Drug info:

PubChemData

Smile

CC(=CCO)C(=C)SC1=CC=CC=C1

DOS

IR

Vibrations