Geometry & MOs

Info

ID:	36113
PubChem CID:	7980778
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	308.084872
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	3.3
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluorophenyl)-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