Geometry & MOs

Info

ID:	176510
PubChem CID:	76061781
Reduced:	IN5O5C10H14 (1)
Stoich.:	AB5C5D10E14 (1)
Weight, g/mol:	308.20865
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	5.17
IP(EA), eV:	-10.16(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[3-(diethylamino)propyl]-1,3,8-trimethyl-5H-purin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C(C(C(O2)(CI)[N-][N+]#N)O)O

DOS

IR

Vibrations