Geometry & MOs

Info

ID:	77913
PubChem CID:	49674412
Reduced:	ClO3N7H14C20 (1)
Stoich.:	AB3C7D14E20 (1)
Weight, g/mol:	497.04874
ΔH_f, kcal/mol:	83.91
Dipole, Da:	5.56
IP(EA), eV:	-9.05(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=NC(=NO4)C5=CC=C(C=C5)Cl)N=N2

DOS

IR

Vibrations