Geometry & MOs

Info

ID:	434669
PubChem CID:	135175462
Reduced:	ClSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	9.85
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yloxy-6-methylnaphthalene

Drug info:

PubChemData

Smile

CCC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)Cl

DOS

IR

Vibrations