Geometry & MOs

Info

ID:	293643
PubChem CID:	117394980
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-149.2
Dipole, Da:	6.88
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3,4-dihydroxy-6-methylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C2=C1OCCO2)C=O)Cl)O

DOS

IR

Vibrations