Geometry & MOs

Info

ID:	213987
PubChem CID:	81065624
Reduced:	FN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-139.93
Dipole, Da:	5.67
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-methyl-3-nitropyridin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C(=CC=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations