Geometry & MOs

Info

ID:	234262
PubChem CID:	92298050
Reduced:	FO3N6H25C30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	568.14739
ΔH_f, kcal/mol:	16.19
Dipole, Da:	4.58
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-phenyl-3-[(5S)-5-phenyl-1-(2-piperidin-1-ylacetyl)pyrazolidin-3-ylidene]quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=C(C=C2)F)[C@@H](C3=CC4=CC5=C(C=C4NC3=O)OCO5)C6=NN=NN6CC7=CC=CC=C7

DOS

IR

Vibrations