Geometry & MOs

Info

ID:	176020
PubChem CID:	75982475
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	333.14887
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	5.01
IP(EA), eV:	-8.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-hydroxypropylimino)cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCN=C2C(C(=O)C2=O)NCC3=CC=CO3

DOS

IR

Vibrations