Geometry & MOs

Info

ID:

179338

PubChem CID:

76468746

Reduced:

SeN2O2F4H13C18 (1)

Stoich.:

AB2C2D4E13F18 (1)

Weight, g/mol:

365.165188

ΔHf, kcal/mol:

-216.4

Dipole, Da:

6.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811084

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(F)(F)F)C2=CNC(=[Se]2)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations