Geometry & MOs

Info

ID:	259007
PubChem CID:	103157926
Reduced:	BrFNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-93.08
Dipole, Da:	3.76
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC(=C(C=C2)Br)F)O

DOS

IR

Vibrations