Geometry & MOs

Info

ID:	22874
PubChem CID:	599347
Reduced:	ClN2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	314.04582
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	2.29
IP(EA), eV:	-9.24(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations