Geometry & MOs

Info

ID:	205838
PubChem CID:	80163634
Reduced:	FNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	278.179442
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	3.76
IP(EA), eV:	-9.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[C@H](C)N)OC2=CC=CC=C2CO

DOS

IR

Vibrations