Geometry & MOs

Info

ID:	85638
PubChem CID:	49877825
Reduced:	ClON4H17C25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	765.11827
ΔH_f, kcal/mol:	110.75
Dipole, Da:	2.32
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-bromo-3-[1-(3,5-dinitro-4-piperidin-1-ylbenzoyl)-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NN/C=C\4/C=CC5=CC=CC=C5C4=O

DOS

IR

Vibrations