Geometry & MOs

Info

ID:	164156
PubChem CID:	74382111
Reduced:	FO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-46.13
Dipole, Da:	2.44
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-pyrazolidin-3-ylphenyl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CCOC(=O)ON=C(C1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)F)N

DOS

IR

Vibrations