Geometry & MOs

Info

ID:	1726
PubChem CID:	4950
Reduced:	OSN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	170.051384
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	7.63
IP(EA), eV:	-9.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-2-sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)S

DOS

IR

Vibrations