Geometry & MOs

Info

ID:	341311
PubChem CID:	127264004
Reduced:	ClN3O3C9H18 (1)
Stoich.:	AB3C3D9E18 (1)
Weight, g/mol:	308.051495
ΔH_f, kcal/mol:	-178.53
Dipole, Da:	4.69
IP(EA), eV:	-10.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,6-bis(trifluoromethyl)pyridin-2-yl]propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)(C(=O)N)N.Cl

DOS

IR

Vibrations