Geometry & MOs

Info

ID:	181745
PubChem CID:	76787437
Reduced:	ClO2F3N3H17C21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	219.110908
ΔH_f, kcal/mol:	-162.64
Dipole, Da:	4.76
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[6-(trifluoromethyl)pyridin-2-yl]butylazanium

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC(CC=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations