Geometry & MOs

Info

ID:	407714
PubChem CID:	135080469
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	216.004957
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	3.42
IP(EA), eV:	-9.57(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;9-methylpurine-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)C/C=C/C(=O)NC(C)(C)C

DOS

IR

Vibrations