Geometry & MOs

Info

ID:	183256
PubChem CID:	76998853
Reduced:	FN4O4C11H11 (1)
Stoich.:	AB4C4D11E11 (1)
Weight, g/mol:	245.153955
ΔH_f, kcal/mol:	-121.05
Dipole, Da:	3.91
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[2-(3-methylbutylamino)ethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=CC(=C(C=C2)N)[N+](=O)[O-])F

DOS

IR

Vibrations