Geometry & MOs

Info

ID:	136109
PubChem CID:	51979538
Reduced:	ClN2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	206.129337
ΔH_f, kcal/mol:	29.2
Dipole, Da:	5.85
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(4-methylpiperazin-4-ium-1-yl)pyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C2=NC3=C(N2CC(C)C)C=CC(=C3)Cl

DOS

IR

Vibrations