Geometry & MOs

Info

ID:	234268
PubChem CID:	92298067
Reduced:	ClON5H24C33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	541.166938
ΔH_f, kcal/mol:	156.76
Dipole, Da:	11.47
IP(EA), eV:	-8.33(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(5R)-5-(1,3-diphenylpyrazol-4-yl)pyrazolidin-3-ylidene]-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

C1[C@H](NNC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations