Geometry & MOs

Info

ID:	321474
PubChem CID:	126666112
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	452.125133
ΔH_f, kcal/mol:	-121.83
Dipole, Da:	3.68
IP(EA), eV:	-9.52(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]-4-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@@H](C[C@@H]1N)OCC2=CC=CC=C2

DOS

IR

Vibrations