Geometry & MOs

Info

ID:	137555
PubChem CID:	52227278
Reduced:	N2S2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	265.202836
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	0.73
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3S)-3-ethylpiperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C(=O)NCC(=O)N(CC2=CC=CS2)CC3=CC=CS3

DOS

IR

Vibrations