Geometry & MOs

Info

ID:	361293
PubChem CID:	127302488
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	3.9
IP(EA), eV:	-8.59(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations