Geometry & MOs

Info

ID:	199976
PubChem CID:	79326592
Reduced:	ClON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	5.44
IP(EA), eV:	-8.15(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(oxetan-3-ylsulfanyl)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CCN1CCN(CC1)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations