Geometry & MOs

Info

ID:	435367
PubChem CID:	135191298
Reduced:	ON7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	321.133808
ΔH_f, kcal/mol:	81.96
Dipole, Da:	4.16
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(1H-imidazol-2-yl)-9-[(3-methylphenyl)methyl]-7H-purin-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C(N=C(N3)N4C=CC=N4)N)NC2=O

DOS

IR

Vibrations