Geometry & MOs

Info

ID:	89641
PubChem CID:	49963251
Reduced:	ClO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	238.021914
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	4.13
IP(EA), eV:	-9.34(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(O1)C(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations