Geometry & MOs

Info

ID:	29470
PubChem CID:	834049
Reduced:	NSH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	328.06147
ΔH_f, kcal/mol:	79.36
Dipole, Da:	1.56
IP(EA), eV:	-9.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3=CC=CS3

DOS

IR

Vibrations