Geometry & MOs

Info

ID:	293359
PubChem CID:	117385352
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	7.45
IP(EA), eV:	-9.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-(aminomethyl)cyclopentyl]-6-fluoro-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C(=CC=C2)C(F)F)OC)N

DOS

IR

Vibrations