Geometry & MOs

Info

ID:	205545
PubChem CID:	80119464
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-133.99
Dipole, Da:	7.66
IP(EA), eV:	-10.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-acetylpiperidine-3-carbonyl)amino]methyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(N1C)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations