Geometry & MOs

Info

ID:	16078
PubChem CID:	459153
Reduced:	ClO2N5C7H12 (1)
Stoich.:	AB2C5D7E12 (1)
Weight, g/mol:	233.067952
ΔH_f, kcal/mol:	-50.49
Dipole, Da:	3.39
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

C(CO)NC1=NC(=NC(=N1)Cl)NCCO

DOS

IR

Vibrations