Geometry & MOs

Info

ID:	365725
PubChem CID:	127318450
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	2.56
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CNC5=C4C=CC=N5

DOS

IR

Vibrations