Geometry & MOs

Info

ID:	133685
PubChem CID:	51574221
Reduced:	N2O5C15H20 (1)
Stoich.:	A2B5C15D20 (1)
Weight, g/mol:	245.103851
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	4.72
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-benzyl-3-(2-hydroxyethylamino)-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N\OC)OCC(=O)N2CCOCC2

DOS

IR

Vibrations