Geometry & MOs

Info

ID:	383843
PubChem CID:	134975824
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	217.994773
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	3.94
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C)CC(=O)C=C

DOS

IR

Vibrations