Geometry & MOs

Info

ID:	227112
PubChem CID:	87560212
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	528.132261
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	3.19
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OOCC2CO2

DOS

IR

Vibrations