Geometry & MOs

Info

ID:	341387
PubChem CID:	127264080
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	304.085767
ΔH_f, kcal/mol:	48.73
Dipole, Da:	1.02
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=CC=N2)C=C1)N3CCNCC3

DOS

IR

Vibrations