Geometry & MOs

Info

ID:	7340
PubChem CID:	72192
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	10.95
IP(EA), eV:	-9.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)CO

DOS

IR

Vibrations