Geometry & MOs

Info

ID:	194085
PubChem CID:	78479401
Reduced:	ClON6C19H29 (1)
Stoich.:	ABC6D19E29 (1)
Weight, g/mol:	336.209616
ΔH_f, kcal/mol:	50.05
Dipole, Da:	9.22
IP(EA), eV:	-6.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2Cl)C3=NN=NN3CC4CCCO4

DOS

IR

Vibrations