Geometry & MOs

Info

ID:	183402
PubChem CID:	77018501
Reduced:	ClN4O4H10C11 (1)
Stoich.:	AB4C4D10E11 (1)
Weight, g/mol:	292.122321
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	5.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758112
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C[N+]1=CC(C(=O)N(C1=O)CC2=CN=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations