Geometry & MOs

Info

ID:	321446
PubChem CID:	126666055
Reduced:	SF3N6C13H13 (1)
Stoich.:	AB3C6D13E13 (1)
Weight, g/mol:	411.098584
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-7-(3,4-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1C(C=NN1)(C2=C3C=CNC3=NC=N2)[C@@H](CC(=S)N)C(F)(F)F

DOS

IR

Vibrations