Geometry & MOs

Info

ID:	209956
PubChem CID:	80743194
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	3.93
IP(EA), eV:	-9.06(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-methylthiolan-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=CC(=C1)[N+](=O)[O-])NCCC(C)C(=O)O

DOS

IR

Vibrations