Geometry & MOs

Info

ID:	186467
PubChem CID:	77438448
Reduced:	F2O4N5C23H29 (1)
Stoich.:	A2B4C5D23E29 (1)
Weight, g/mol:	281.153955
ΔH_f, kcal/mol:	-209.49
Dipole, Da:	6.08
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-fluoro-3-methylpyridin-2-yl)amino]methyl]-5-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CC(COC1C2=C(C=CC(=C2)F)F)N3CC4=CN(N=C4C3)CC(=O)N)C(=O)O

DOS

IR

Vibrations