Geometry & MOs

Info

ID:	1523
PubChem CID:	4641
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	1.19
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations