Geometry & MOs

Info

ID:	49043
PubChem CID:	11528647
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	4.03
IP(EA), eV:	-9.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[9.4.0]pentadec-1(11)-en-12-one

Drug info:

PubChemData

Smile

CC(=O)CC(=O)CCC1=CC=CC=C1OC

DOS

IR

Vibrations