Geometry & MOs

Info

ID:	361287
PubChem CID:	127302482
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	4.11
IP(EA), eV:	-8.62(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations