Geometry & MOs

Info

ID:	194086
PubChem CID:	78479597
Reduced:	SN6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	348.209616
ΔH_f, kcal/mol:	101.14
Dipole, Da:	10.93
IP(EA), eV:	-6.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-prop-2-enyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=CS2)[NH+]3CC[NH+](CC3)CC

DOS

IR

Vibrations