Geometry & MOs

Info

ID:	177694
PubChem CID:	76218052
Reduced:	BrFN2O3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	259.055283
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	7.28
IP(EA), eV:	-10.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-(5-nitro-2,4-dioxo-1,3-diazinan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC(=O)C2=CC=CC=C2F)Br

DOS

IR

Vibrations