Geometry & MOs

Info

ID:	139235
PubChem CID:	52496270
Reduced:	O2N7C22H33 (1)
Stoich.:	A2B7C22D33 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	66.87
Dipole, Da:	50.02
IP(EA), eV:	-3.71(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)NC3=C[NH+]=C(C=C3)N4CCOCC4

DOS

IR

Vibrations