Geometry & MOs

Info

ID:	192692
PubChem CID:	78302671
Reduced:	NO9C24H27 (1)
Stoich.:	AB9C24D27 (1)
Weight, g/mol:	481.219943
ΔH_f, kcal/mol:	-334.97
Dipole, Da:	6.44
IP(EA), eV:	-8.92(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)C2=CC(=O)C3=C(C4=C(C(OC5C4OC(=O)C5)C)C(=C3C2=O)O)O)N(C)C)O

DOS

IR

Vibrations