Geometry & MOs

Info

ID:	178198
PubChem CID:	76293885
Reduced:	NO2H10C12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	487.172993
ΔH_f, kcal/mol:	16.84
Dipole, Da:	2.29
IP(EA), eV:	-8.93(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)ethyl 2-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COC(=O)C2=CC=CC=C2CC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations