Geometry & MOs

Info

ID:	431987
PubChem CID:	135172115
Reduced:	ISO3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	310.309647
ΔH_f, kcal/mol:	-104.08
Dipole, Da:	4.46
IP(EA), eV:	-9.58(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-aminopiperidin-1-yl)-2,5-dimethylhexan-2-yl]piperidin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)S(=O)(=O)O)I

DOS

IR

Vibrations