Geometry & MOs

Info

ID:	36114
PubChem CID:	7980779
Reduced:	FO3H13C19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	350.090272
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	1.58
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations