Geometry & MOs

Info

ID:	181232
PubChem CID:	76719061
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	6.57
Dipole, Da:	5.09
IP(EA), eV:	-9.75(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-4aH-pyrano[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CCC1=CC(=NC2=NC(=NC(=O)C12)C)OCC3=CC=CC=C3

DOS

IR

Vibrations