Geometry & MOs

Info

ID:	314109
PubChem CID:	126620446
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	580.496779
ΔH_f, kcal/mol:	-65.93
Dipole, Da:	3.87
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[4-[2-(3,3,5,5-tetramethylpiperidin-4-yl)butan-2-yl]cyclohexyl]propanoate

Drug info:

PubChemData

Smile

C1COCCC2=C1C(=CC(=O)N2)C(=O)NC3=NC=CN=C3

DOS

IR

Vibrations