Geometry & MOs

Info

ID:	63420
PubChem CID:	26758298
Reduced:	FO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations