Geometry & MOs

Info

ID:	166173
PubChem CID:	74645189
Reduced:	BrNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	6.2
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2-methylphenyl)sulfonyl-3,5-dimethylpiperidine

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)Br)C

DOS

IR

Vibrations