Geometry & MOs

Info

ID:	2042
PubChem CID:	5647
Reduced:	O4N6C13H20 (1)
Stoich.:	A4B6C13D20 (1)
Weight, g/mol:	324.154603
ΔH_f, kcal/mol:	-108.77
Dipole, Da:	11.15
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N

DOS

IR

Vibrations