Geometry & MOs

Info

ID:	371862
PubChem CID:	131276070
Reduced:	BrOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	1.4
IP(EA), eV:	-9.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1-aminocyclopentyl)-1-hydroxyethyl]phenol

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)O)CC(C#N)N)F)F

DOS

IR

Vibrations