Geometry & MOs

Info

ID:	48063
PubChem CID:	10536899
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.133754
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	4.67
IP(EA), eV:	-8.85(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)CC(=O)O

DOS

IR

Vibrations