Geometry & MOs

Info

ID:	194069
PubChem CID:	78477473
Reduced:	FON3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	354.265771
ΔH_f, kcal/mol:	39.25
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023754
Charge, e:	1

Chem-info

IUPAC name:

1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=C(C=CC3=C2C=CC=N3)O)NC4=CC=CC=[NH+]4)F

DOS

IR

Vibrations