Geometry & MOs

Info

ID:	187990
PubChem CID:	77651344
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	215.0569
ΔH_f, kcal/mol:	5.07
Dipole, Da:	2.48
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,7-diethynyl-3-methyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CC2=CNNC3CC(=O)N(C(=O)N3CC4CC4)C

DOS

IR

Vibrations