Geometry & MOs

Info

ID:	234275
PubChem CID:	92298077
Reduced:	NO5H19C22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	328.06147
ΔH_f, kcal/mol:	-109.83
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-methylphenyl)-4-[(2-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](C=C(C(=O)O2)N/C=C/C(=O)C3=CC=CC=C3)O[C@H](O1)C4=CC=CC=C4

DOS

IR

Vibrations