Geometry & MOs

Info

ID:	203772
PubChem CID:	79868163
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	411.92787
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	3.67
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C(=O)NC2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations