Geometry & MOs

Info

ID:	14719
PubChem CID:	418970
Reduced:	ClON4C7H7 (1)
Stoich.:	ABC4D7E7 (1)
Weight, g/mol:	198.030839
ΔH_f, kcal/mol:	57.06
Dipole, Da:	5.06
IP(EA), eV:	-10.42(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethoxy-5H-purine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=NC=NC21)Cl

DOS

IR

Vibrations