Geometry & MOs

Info

ID:	171308
PubChem CID:	75356664
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	31.44
Dipole, Da:	1.39
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NN=C2C(=O)NCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations