Geometry & MOs

Info

ID:	194072
PubChem CID:	78477766
Reduced:	N5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	375.267248
ΔH_f, kcal/mol:	54.04
Dipole, Da:	6.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141605
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazin-4-ium

Drug info:

PubChemData

Smile

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C)[NH+]3CCC(CC3)C

DOS

IR

Vibrations