Geometry & MOs

Info

ID:	435349
PubChem CID:	135191262
Reduced:	ON9C17H17 (1)
Stoich.:	AB9C17D17 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	109.35
Dipole, Da:	4.2
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(NC2=C(N=C(N=C2N1CC3=CN4C=CC=CC4=N3)N5C=CC=N5)N)O

DOS

IR

Vibrations