Geometry & MOs

Info

ID:	216141
PubChem CID:	85085786
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	234.135485
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	2.65
IP(EA), eV:	-9.09(0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-4-propyl-8,9b-dihydro-7H-imidazo[2,1-f]purin-1-ium-5-one

Drug info:

PubChemData

Smile

CC1CCC2(C1(CC3=C(C2C)C=CO3)C=O)C

DOS

IR

Vibrations