Geometry & MOs

Info

ID:	341985
PubChem CID:	127264678
Reduced:	ClN2F3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	222.069054
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	2.61
IP(EA), eV:	-10.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpyridin-2-yl)propan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)[C@@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations