Geometry & MOs

Info

ID:	36075
PubChem CID:	7980732
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	1.11
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxocyclohexyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC

DOS

IR

Vibrations