Geometry & MOs

Info

ID:	381261
PubChem CID:	134971943
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	206.165723
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	0.72
IP(EA), eV:	-9.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(6-ethylpyridin-2-yl)methyl]piperazin-1-ium

Drug info:

PubChemData

Smile

COC[C@H](C1=CC=CC=C1)OC[C@H](CC=C)NOCC2=CC=CC=C2

DOS

IR

Vibrations