Geometry & MOs

Info

ID:	269116
PubChem CID:	103614615
Reduced:	N2C17H36 (1)
Stoich.:	A2B17C36 (1)
Weight, g/mol:	441.93844
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	2.02
IP(EA), eV:	-8.45(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC1CCC(CC1)C(C)(C)C

DOS

IR

Vibrations