Geometry & MOs

Info

ID:	167360
PubChem CID:	74815343
Reduced:	ON7C20H31 (1)
Stoich.:	AB7C20D31 (1)
Weight, g/mol:	400.260017
ΔH_f, kcal/mol:	83.47
Dipole, Da:	18.16
IP(EA), eV:	-6.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-(2-phenoxyethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1CC2=CC=CC=C2CC1CN(C)C(=O)CN3C(=NN=N3)C[NH+]4CCCC4

DOS

IR

Vibrations