Geometry & MOs

Info

ID:	295111
PubChem CID:	117517630
Reduced:	BrON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	349.081779
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	5.17
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-fluoro-4,5-bis(methylsulfonyl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C3(CCCC3)N=C=O)Br

DOS

IR

Vibrations