Geometry & MOs

Info

ID:	284989
PubChem CID:	104088294
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	299.141596
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	3.63
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1SC(C)CO)N

DOS

IR

Vibrations