Geometry & MOs

Info

ID:	251496
PubChem CID:	103104421
Reduced:	BrON5C9H14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	281.160023
ΔH_f, kcal/mol:	-5.7
Dipole, Da:	5.74
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=NC(=NC=C1Br)NC

DOS

IR

Vibrations