Geometry & MOs

Info

ID:	70626
PubChem CID:	48413611
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	1.94
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations