Geometry & MOs

Info

ID:	234267
PubChem CID:	92298063
Reduced:	BrClO2N3H21C31 (1)
Stoich.:	ABC2D3E21F31 (1)
Weight, g/mol:	541.166938
ΔH_f, kcal/mol:	78.26
Dipole, Da:	7.4
IP(EA), eV:	-8.57(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations