Geometry & MOs

Info

ID:	186823
PubChem CID:	77490956
Reduced:	NO4C6H13 (1)
Stoich.:	AB4C6D13 (1)
Weight, g/mol:	365.169919
ΔH_f, kcal/mol:	-185.62
Dipole, Da:	3.2
IP(EA), eV:	-9.96(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-8-butanoyl-6-oxo-5H-purin-9-yl)methoxy]ethyl butanoate

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)O)O.N

DOS

IR

Vibrations