Geometry & MOs

Info

ID:	225398
PubChem CID:	85756687
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	232.094688
ΔH_f, kcal/mol:	-200.91
Dipole, Da:	3.96
IP(EA), eV:	-9.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;cyclohexa-2,5-diene-1,4-diol

Drug info:

PubChemData

Smile

CC12CCCC1C3C(CC2)C4(CC(C(CC4C(=O)C3=O)O)O)C

DOS

IR

Vibrations