Geometry & MOs

Info

ID:	214067
PubChem CID:	81066866
Reduced:	F2N2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	276.108562
ΔH_f, kcal/mol:	-226.74
Dipole, Da:	3.97
IP(EA), eV:	-10.05(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[3-(trifluoromethyl)pyridin-2-yl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NCCC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations