Geometry & MOs

Info

ID:	164190
PubChem CID:	74382239
Reduced:	F2O3N5C30H31 (1)
Stoich.:	A2B3C5D30E31 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	4.18
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(N3CC5=CC(=CC=C5)F)C=CC(=C4)F

DOS

IR

Vibrations