Geometry & MOs

Info

ID:	357866
PubChem CID:	127295366
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	4.22
IP(EA), eV:	-8.68(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-piperidin-1-ylsulfonylpyridin-2-yl)-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations