Geometry & MOs

Info

ID:	283003
PubChem CID:	103952580
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	228.104482
ΔH_f, kcal/mol:	3.38
Dipole, Da:	3.48
IP(EA), eV:	-8.74(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-aminopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

C1CC1COCCCNC2=NC=CC(=N2)N

DOS

IR

Vibrations