Geometry & MOs

Info

ID:	260809
PubChem CID:	103205132
Reduced:	BrN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	75.27
Dipole, Da:	0.66
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,4-benzotriazin-3-yl)-2-(bromomethyl)morpholine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=CC=CC=C3N=N2)Br

DOS

IR

Vibrations