Geometry & MOs

Info

ID:	35968
PubChem CID:	7980578
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	337.111422
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	3.98
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations