Geometry & MOs

Info

ID:	16369
PubChem CID:	465881
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	22.24
Dipole, Da:	7.01
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(naphthalen-1-ylmethyl)-2-sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)S)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations