Geometry & MOs

Info

ID:	179854
PubChem CID:	76543377
Reduced:	NO4F6H21C22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	270.121572
ΔH_f, kcal/mol:	-444.09
Dipole, Da:	1.43
IP(EA), eV:	-9.45(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-oxo-2-piperazin-1-ylethyl)but-2-enedioate

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)C=CC1=CC=C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations