Geometry & MOs

Info

ID:	14618
PubChem CID:	416153
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	206.080376
ΔH_f, kcal/mol:	11.46
Dipole, Da:	4.42
IP(EA), eV:	-10.54(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5H-purin-6-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC=NC2=NC=NC12

DOS

IR

Vibrations