Geometry & MOs

Info

ID:	214052
PubChem CID:	81065933
Reduced:	F2N2O4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	262.092912
ΔH_f, kcal/mol:	-268.13
Dipole, Da:	5.55
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[6-(trifluoromethyl)pyridin-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)OC(F)F

DOS

IR

Vibrations