Geometry & MOs

Info

ID:	260810
PubChem CID:	103205141
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	41.44
Dipole, Da:	2.53
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,4-benzotriazin-3-yl)-2-(chloromethyl)-5-methylmorpholine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC3=CC=CC=C3N=N2)CBr

DOS

IR

Vibrations