Geometry & MOs

Info

ID:	262093
PubChem CID:	103269711
Reduced:	BrON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	4.51
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CC1CNC2=C(C=C(C=C2)Br)C#N)O

DOS

IR

Vibrations