Geometry & MOs

Info

ID:	127225
PubChem CID:	50995185
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	617.16976
ΔH_f, kcal/mol:	41.79
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropyl 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

CC[C@@H](C(=O)N[C@H]1CCN(C1)C2=C(C=C(C=C2)C3=NC=CC=N3)C#N)N

DOS

IR

Vibrations