Geometry & MOs

Info

ID:	133842
PubChem CID:	51599917
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	292.213735
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	7.58
IP(EA), eV:	-8.17(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-methylpyrazol-3-yl)-2-[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2CCC[C@H](C2)N3CCCC3

DOS

IR

Vibrations