Geometry & MOs

Info

ID:	224543
PubChem CID:	85344641
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	2.88
IP(EA), eV:	-9.29(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-en-4-one

Drug info:

PubChemData

Smile

CC(=CCCC1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations