Geometry & MOs

Info

ID:	337295
PubChem CID:	127256977
Reduced:	ClNOH7C9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	0.27
IP(EA), eV:	-9.5(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-phenylpyrazolidin-3-one

Drug info:

PubChemData

Smile

C1C(N(NC1=O)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations