Geometry & MOs

Info

ID:	266513
PubChem CID:	103568135
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	39.2
Dipole, Da:	3.58
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(aminomethyl)-5-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=CC=C(S2)C#CCN

DOS

IR

Vibrations