Geometry & MOs

Info

ID:	369958
PubChem CID:	127336949
Reduced:	N3O5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	365.169919
ΔH_f, kcal/mol:	-251.25
Dipole, Da:	4.78
IP(EA), eV:	-9.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC(C3CCOCC3)O

DOS

IR

Vibrations