Geometry & MOs

Info

ID:	343582
PubChem CID:	127266755
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	320.080633
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	1.49
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethylsulfinyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1N2CCCC(C2)C(=O)N)Br

DOS

IR

Vibrations