Geometry & MOs

Info

ID:	194077
PubChem CID:	78478669
Reduced:	FON6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	411.250849
ΔH_f, kcal/mol:	53.24
Dipole, Da:	7.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824287
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]pentyl]-4-(4-methoxyphenyl)piperazin-1-ium

Drug info:

PubChemData

Smile

CCCCC(C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations