Geometry & MOs

Info

ID:	59368
PubChem CID:	24844221
Reduced:	NaN2O2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	316.176306
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	6.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778657
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-butyl-4-phenylbenzene;pyrazolidin-2-ide-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4.[Na]

DOS

IR

Vibrations