Geometry & MOs

Info

ID:	230756
PubChem CID:	87571920
Reduced:	ClON2F6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	426.09336
ΔH_f, kcal/mol:	-324.57
Dipole, Da:	1.2
IP(EA), eV:	-9.79(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[3,5-bis(trifluoromethyl)phenyl]pyridin-3-yl]oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1CC1(CN)COC2=CN=CC(=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

DOS

IR

Vibrations