Geometry & MOs

Info

ID:	214065
PubChem CID:	81066858
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	3.96
IP(EA), eV:	-8.83(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-amino-5-nitropyridin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C(=NN1C)C)C#N

DOS

IR

Vibrations