Geometry & MOs

Info

ID:	309096
PubChem CID:	126536882
Reduced:	SO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	3.14
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN(CC4O)C

DOS

IR

Vibrations