Geometry & MOs

Info

ID:	341986
PubChem CID:	127264679
Reduced:	Cl2N2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	262.025138
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	3.59
IP(EA), eV:	-9.5(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(trifluoromethyl)pyridin-2-yl]ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=N1)C)N.Cl.Cl

DOS

IR

Vibrations