Geometry & MOs

Info

ID:	321360
PubChem CID:	126665874
Reduced:	F3O3N4H31C34 (1)
Stoich.:	A3B3C4D31E34 (1)
Weight, g/mol:	451.129884
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	5.56
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)OCC6CC6

DOS

IR

Vibrations