Geometry & MOs

Info

ID:	436987
PubChem CID:	135213540
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	255.97087
ΔH_f, kcal/mol:	19.68
Dipole, Da:	9.29
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(N=CC=C2)N=C1C3=C(C=C(C=C3)S(=O)C)OC

DOS

IR

Vibrations