Geometry & MOs

Info

ID:	14170
PubChem CID:	405758
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	5.75
Dipole, Da:	14.04
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3=O)N)CO

DOS

IR

Vibrations