Geometry & MOs

Info

ID:	297103
PubChem CID:	117608879
Reduced:	ClFN3O3C25H33 (1)
Stoich.:	ABC3D3E25F33 (1)
Weight, g/mol:	393.222784
ΔH_f, kcal/mol:	-148.21
Dipole, Da:	4.71
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NCCN)N[C@@H](CC1CCOCC1)C2=C(C(=C(C=C2)Cl)OC3=CC=CC=C3)F

DOS

IR

Vibrations