Geometry & MOs

Info

ID:	435054
PubChem CID:	135178978
Reduced:	O2F3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	3.23
IP(EA), eV:	-9.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C4C=C(C=CC4=C3)C(F)(F)F

DOS

IR

Vibrations