Geometry & MOs

Info

ID:	321447
PubChem CID:	126666056
Reduced:	ClN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	369.068033
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	1.93
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations