Geometry & MOs

Info

ID:	216072
PubChem CID:	85085669
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.104465
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	2.62
IP(EA), eV:	-9.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[11.2.1.02,12.04,9]hexadeca-4,6,8,10,14-pentaen-3-one

Drug info:

PubChemData

Smile

CC(CO)COC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations