Geometry & MOs

Info

ID:	89595
PubChem CID:	49963000
Reduced:	ClO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	238.021914
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	4.2
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-(4-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations