Geometry & MOs

Info

ID:	211050
PubChem CID:	80888856
Reduced:	OSN6C10H12 (1)
Stoich.:	ABC6D10E12 (1)
Weight, g/mol:	247.089167
ΔH_f, kcal/mol:	47.66
Dipole, Da:	6.25
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N)SC2=NC=NC=C2

DOS

IR

Vibrations