Geometry & MOs

Info

ID:	25099
PubChem CID:	618955
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	28.83
Dipole, Da:	4.61
IP(EA), eV:	-7.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-methylphenyl) piperazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N3CCSC3=N2)N

DOS

IR

Vibrations