Geometry & MOs

Info

ID:	15791
PubChem CID:	450614
Reduced:	O3N5C9H13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	238.113272
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	6.09
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(2-hydroxyethoxymethyl)-1-(111C)methylpurin-6-one

Drug info:

PubChemData

Smile

[11CH3]N1C(=O)C2=C(N=C1N)N(C=N2)COCCO

DOS

IR

Vibrations