Geometry & MOs

Info

ID:	337296
PubChem CID:	127256978
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	1.58
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations