Geometry & MOs

Info

ID:	14304
PubChem CID:	408606
Reduced:	ON4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	164.069811
ΔH_f, kcal/mol:	23.82
Dipole, Da:	11.53
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-3H-purin-6-one

Drug info:

PubChemData

Smile

CCN1C=NC2=C1NC=NC2=O

DOS

IR

Vibrations