Geometry & MOs

Info

ID:	186540
PubChem CID:	77443854
Reduced:	O3C5H8 (2)
Stoich.:	A3B5C8 (2)
Weight, g/mol:	423.225697
ΔH_f, kcal/mol:	-288.87
Dipole, Da:	3.12
IP(EA), eV:	-10.61(0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(2-aminopropylamino)-7-ethyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)OC1CC(CC(C1O)O)C(=O)OC

DOS

IR

Vibrations