Geometry & MOs

Info

ID:	441130
PubChem CID:	135233252
Reduced:	ClF2O3N7H30C32 (1)
Stoich.:	AB2C3D7E30F32 (1)
Weight, g/mol:	250.096694
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	7.79
IP(EA), eV:	-9.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-cyclopropylimidazol-4-yl)imidazo[1,2-b]pyridazine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)N(C2=CC=CC(=C2N)C=N)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CCC(CC4)(F)F)C5=NC=CC(=C5)C#N

DOS

IR

Vibrations