Geometry & MOs

Info

ID:	18282
PubChem CID:	539354
Reduced:	ClO2N5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	293.067952
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	5.86
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C=C1)N2C=NC3=C2N=C(N=C3Cl)N

DOS

IR

Vibrations