Geometry & MOs

Info

ID:	83317
PubChem CID:	49857444
Reduced:	OF4N5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-159.63
Dipole, Da:	6.44
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R)-2-(benzylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)N2CCN3C(=NC(=C3NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C2)(F)F

DOS

IR

Vibrations