Geometry & MOs

Info

ID:	61529
PubChem CID:	26710260
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	3.47
IP(EA), eV:	-8.51(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(3-methoxynaphthalene-2-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations