Geometry & MOs

Info

ID:	276742
PubChem CID:	103824867
Reduced:	O2F3N4C6H7 (1)
Stoich.:	A2B3C4D6E7 (1)
Weight, g/mol:	347.05209
ΔH_f, kcal/mol:	-196.33
Dipole, Da:	2.92
IP(EA), eV:	-10.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[2-(hydroxymethyl)cyclopentyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=NNC(=N1)C(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations