Geometry & MOs

Info

ID:	341388
PubChem CID:	127264081
Reduced:	OCl2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	3.75
Dipole, Da:	3.44
IP(EA), eV:	-9.5(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-piperazin-1-ylethyl)-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

CC(C1=CC2=NON=C2C=C1)N3CCNCC3.Cl.Cl

DOS

IR

Vibrations