Geometry & MOs

Info

ID:	294467
PubChem CID:	117462491
Reduced:	ClO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	286.043043
ΔH_f, kcal/mol:	-177.3
Dipole, Da:	4.43
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)OC)C(C)(C)CC(=O)O)OC

DOS

IR

Vibrations