Geometry & MOs

Info

ID:	187744
PubChem CID:	77618152
Reduced:	ClN3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	376.115853
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	4.01
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2,2-dimethyl-6-(trifluoromethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-6-fluoropurine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=C(N=CC(=C2)Cl)OC3=CC4=C(C=C3)C=CN=C4

DOS

IR

Vibrations