Geometry & MOs

Info

ID:	20344
PubChem CID:	583242
Reduced:	OC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	292.14633
ΔH_f, kcal/mol:	57.35
Dipole, Da:	5.54
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1C2CC3CC4=CC=CC=C4C2(O3)C

DOS

IR

Vibrations