Geometry & MOs

Info

ID:	65330
PubChem CID:	29214676
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	51.66
Dipole, Da:	3.35
IP(EA), eV:	-9.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCC2=CC=CC=N2)CC3=CC=NN3

DOS

IR

Vibrations