Geometry & MOs

Info

ID:	157283
PubChem CID:	56422500
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	441.212452
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	10.1
IP(EA), eV:	-9.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C#CCNC(=O)COC(=O)C1=NN=C(C=C1)N2CCCC2

DOS

IR

Vibrations