Geometry & MOs

Info

ID:	194071
PubChem CID:	78477765
Reduced:	N5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	342.265771
ΔH_f, kcal/mol:	64.06
Dipole, Da:	7.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006331
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidin-1-ium

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C(C2=CC=C(C=C2)C)C3=NN=NN3C(C)(C)C

DOS

IR

Vibrations