Geometry & MOs

Info

ID:	176441
PubChem CID:	76049736
Reduced:	FN2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	6.11
IP(EA), eV:	-9.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)C=C2C(=O)OC(C3=CC=C(C=C3)F)C(=O)N)C=C1

DOS

IR

Vibrations