Geometry & MOs

Info

ID:	179899
PubChem CID:	76552370
Reduced:	ON3C5H8 (2)
Stoich.:	AB3C5D8 (2)
Weight, g/mol:	523.254317
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	3.63
IP(EA), eV:	-9.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)-2-oxoethyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)N2C=NC3C2NC(=O)NC3=O)N

DOS

IR

Vibrations