Geometry & MOs

Info

ID:	283572
PubChem CID:	103990026
Reduced:	BrClNOC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	3.12
IP(EA), eV:	-9.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-propan-2-ylsulfonylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations