Geometry & MOs

Info

ID:	360123
PubChem CID:	127300508
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-71.21
Dipole, Da:	3.22
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations