Geometry & MOs

Info

ID:	388670
PubChem CID:	134989835
Reduced:	SN3O3C4H5 (1)
Stoich.:	AB3C3D4E5 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	3.22
IP(EA), eV:	-10.78(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C[N+](=N1)[O-]

DOS

IR

Vibrations