Geometry & MOs

Info

ID:	36111
PubChem CID:	7980776
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	2.74
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations