Geometry & MOs

Info

ID:	147456
PubChem CID:	53787112
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	514.244087
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	2.83
IP(EA), eV:	-10.02(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-3-(2-methoxyethyl)-1-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCC(C)(C=C[C@@H]1CCC(=O)[C@H]1CC(=O)O)O

DOS

IR

Vibrations