Geometry & MOs

Info

ID:	179862
PubChem CID:	76545915
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	601.221712
ΔH_f, kcal/mol:	121.86
Dipole, Da:	2.02
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

potassium;3-[2-[4-[[1-(2,2-dimethylchromen-6-yl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3C(NNN3)C#N

DOS

IR

Vibrations