Geometry & MOs

Info

ID:	178799
PubChem CID:	76383745
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	542.198834
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	5.67
IP(EA), eV:	-8.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[4-benzyl-3,6-dioxo-5-[(pyrrolidine-2-carbonylamino)methyl]piperazin-2-yl]acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=CC=CC=C31)OC(=O)C=C2COC(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations