Geometry & MOs

Info

ID:	45544
PubChem CID:	10514766
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	32.67
Dipole, Da:	3.89
IP(EA), eV:	-9.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC12C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations