Geometry & MOs

Info

ID:	218750
PubChem CID:	85089905
Reduced:	NO8C27H37 (1)
Stoich.:	AB8C27D37 (1)
Weight, g/mol:	505.280138
ΔH_f, kcal/mol:	-317.5
Dipole, Da:	7.03
IP(EA), eV:	-8.8(-0.08)
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-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(CO)(COCOC)NC(=O)C2=CC=CC=C2)CCOCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations