Geometry & MOs

Info

ID:	167086
PubChem CID:	74778844
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	347.20025
ΔH_f, kcal/mol:	50.12
Dipole, Da:	5.68
IP(EA), eV:	-8.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(3,4-dimethylphenyl)piperidin-1-ium-3-amine

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CC(NN2)CN3C=CC4=CC=CC=C43)C5=NC=CS5

DOS

IR

Vibrations