Geometry & MOs

Info

ID:	89630
PubChem CID:	49963151
Reduced:	OSC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	246.107836
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	2.36
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methanol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)O

DOS

IR

Vibrations