Geometry & MOs

Info

ID:	30079
PubChem CID:	839484
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-116.05
Dipole, Da:	3.31
IP(EA), eV:	-9.68(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperidine

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations