Geometry & MOs

Info

ID:	321457
PubChem CID:	126666080
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	307.052383
ΔH_f, kcal/mol:	-268.33
Dipole, Da:	3.34
IP(EA), eV:	-10.04(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1C[C@H](C[C@H]1NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations