Geometry & MOs

Info

ID:	287978
PubChem CID:	104303839
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	3.04
IP(EA), eV:	-9.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylthiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=NC=N1)OC)C2=CC(=C(C=C2)C)F

DOS

IR

Vibrations