Geometry & MOs

Info

ID:	213865
PubChem CID:	81065496
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	10.64
IP(EA), eV:	-9.33(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations