Geometry & MOs

Info

ID:	158263
PubChem CID:	56463251
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	401.181152
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	5.15
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)OC

DOS

IR

Vibrations