Geometry & MOs

Info

ID:	213983
PubChem CID:	81065620
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	5.56
IP(EA), eV:	-9.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=CC(=NC(=N1)C)OC

DOS

IR

Vibrations