Geometry & MOs

Info

ID:	201973
PubChem CID:	79610907
Reduced:	FSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	3.84
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-cyano-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)F)NCC2=CC(=CS2)C(=O)N

DOS

IR

Vibrations