Geometry & MOs

Info

ID:	287979
PubChem CID:	104304139
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	2.65
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxypyrimidin-4-yl)-1-(2-methylsulfanylphenyl)ethanol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(CC2=CC(=NC=N2)OC)O

DOS

IR

Vibrations