Geometry & MOs

Info

ID:	1927
PubChem CID:	5362
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	438.179087
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	2.63
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O

DOS

IR

Vibrations