Geometry & MOs

Info

ID:	167223
PubChem CID:	74795241
Reduced:	FON2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	462.145868
ΔH_f, kcal/mol:	-121.17
Dipole, Da:	3.31
IP(EA), eV:	-9.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C=NC2C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)F)F)C(C)C

DOS

IR

Vibrations