Geometry & MOs

Info

ID:	293458
PubChem CID:	117389987
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	3.95
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CC2)C3(CC3)O)Cl

DOS

IR

Vibrations