Geometry & MOs

Info

ID:	399883
PubChem CID:	135043449
Reduced:	O3H8C14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	223.094302
ΔH_f, kcal/mol:	21.95
Dipole, Da:	4.11
IP(EA), eV:	-9.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=O)C(=O)C2=CC=CO2

DOS

IR

Vibrations