Geometry & MOs

Info

ID:	278997
PubChem CID:	103840407
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	388.04479
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	4.31
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C2(CCNCC2)C

DOS

IR

Vibrations