Geometry & MOs

Info

ID:	321345
PubChem CID:	126665844
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	384.078932
ΔH_f, kcal/mol:	14.33
Dipole, Da:	1.96
IP(EA), eV:	-8.35(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1COC2=CC=CC=C2CC3=CC(=CC=C3)N

DOS

IR

Vibrations