Geometry & MOs

Info

ID:	29783
PubChem CID:	837247
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	343.98482
ΔH_f, kcal/mol:	-42.99
Dipole, Da:	4.63
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromonaphthalen-2-yl) 2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations