Geometry & MOs

Info

ID:	45896
PubChem CID:	10518803
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	4.44
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations