Geometry & MOs

Info

ID:	434647
PubChem CID:	135175402
Reduced:	BrF2N3O4C33H36 (1)
Stoich.:	AB2C3D4E33F36 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-222.04
Dipole, Da:	6.44
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclopentyloxynaphthalen-2-yl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)C(C(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F)O

DOS

IR

Vibrations