Geometry & MOs

Info

ID:	181746
PubChem CID:	76787438
Reduced:	N2F3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	218.103083
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	7.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953062
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(trifluoromethyl)pyridin-2-yl]butan-1-amine

Drug info:

PubChemData

Smile

CCCC(C1=NC(=CC=C1)C(F)(F)F)[NH3+]

DOS

IR

Vibrations