Geometry & MOs

Info

ID:	171479
PubChem CID:	75383042
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	343.229348
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	5.08
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-N-(1-methylsulfonylpiperidin-4-yl)piperidin-3-amine

Drug info:

PubChemData

Smile

C1COC(CN1C2=C(C=CC(=C2)Br)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations