Geometry & MOs

Info

ID:	223527
PubChem CID:	85335181
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	-200.91
Dipole, Da:	3.43
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methylpyridin-3-yl)-1-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC=C(C=C(C)C=CC=CC=C(C)C(=O)C1CC(=CC(=O)OC)NC1=O)C(=O)OC

DOS

IR

Vibrations