Geometry & MOs

Info

ID:	188540
PubChem CID:	77730375
Reduced:	OF2C21H34 (1)
Stoich.:	AB2C21D34 (1)
Weight, g/mol:	590.25292
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	4.61
IP(EA), eV:	-9.66(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-(ethoxymethyl)-3-phenyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2C(C(O2)(F)F)C3CCC(CC3)C=CC

DOS

IR

Vibrations