Geometry & MOs

Info

ID:	67994
PubChem CID:	46507567
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	42.81
Dipole, Da:	8.05
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenoxy)methyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC(=S)N=CN3

DOS

IR

Vibrations