Geometry & MOs

Info

ID:	191629
PubChem CID:	78170000
Reduced:	O4N5C11H16 (2)
Stoich.:	A4B5C11D16 (2)
Weight, g/mol:	316.104579
ΔH_f, kcal/mol:	-248.63
Dipole, Da:	12.24
IP(EA), eV:	-7.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=O)O.CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=O)O.C1CNCCN1

DOS

IR

Vibrations