Geometry & MOs

Info

ID:	16586
PubChem CID:	473315
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	25.53
Dipole, Da:	10.87
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C1=CN2C=NC3=C2NC(=NC3=O)N)CO

DOS

IR

Vibrations