Geometry & MOs

Info

ID:	24032
PubChem CID:	607492
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	4.25
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-(4-naphthalen-2-yloxybutylsulfanyl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1)SCCCCOC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations