Geometry & MOs

Info

ID:	9096
PubChem CID:	85950
Reduced:	FNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	277.147807
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	1.98
IP(EA), eV:	-8.78(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations