Geometry & MOs

Info

ID:	337294
PubChem CID:	127256976
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	360.043233
ΔH_f, kcal/mol:	4.75
Dipole, Da:	2.02
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations