Geometry & MOs

Info

ID:	51794
PubChem CID:	12014536
Reduced:	NCl2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	2.88
IP(EA), eV:	-9.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-naphthalen-2-ylethyl] 3-oxocyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@H]2[C@@H](C1=O)C(=NO2)C3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations