Geometry & MOs

Info

ID:	177816
PubChem CID:	76234708
Reduced:	N5O5C25H33 (1)
Stoich.:	A5B5C25D33 (1)
Weight, g/mol:	470.207782
ΔH_f, kcal/mol:	-178.65
Dipole, Da:	5.76
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)methyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)CC)CC

DOS

IR

Vibrations