Geometry & MOs

Info

ID:	36112
PubChem CID:	7980777
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	2.47
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations