Geometry & MOs

Info

ID:	194070
PubChem CID:	78477764
Reduced:	N5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	328.250121
ΔH_f, kcal/mol:	66.84
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099897
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C(C2=CC=C(C=C2)C)C3=NN=NN3C4CCCCC4

DOS

IR

Vibrations