Geometry & MOs

Info

ID:	127216
PubChem CID:	50995000
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	573.143545
ΔH_f, kcal/mol:	27.95
Dipole, Da:	6.37
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCN(C1)C2=C(C=C(C=C2)C3=CC=CC=C3)C#N)N

DOS

IR

Vibrations