Geometry & MOs

Info

ID:	184679
PubChem CID:	77192056
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	537.201219
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	6.82
IP(EA), eV:	-9.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,4-dihydroxy-5-methylideneoxolan-2-yl)-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)N1C=NC2C1NC(=C)NC2=O

DOS

IR

Vibrations