Geometry & MOs

Info

ID:	20695
PubChem CID:	585243
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	0.67
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate

Drug info:

PubChemData

Smile

COC(=O)C(C(CN1C=NC2=C(N=CN=C21)N)O)O

DOS

IR

Vibrations