Geometry & MOs

Info

ID:	297065
PubChem CID:	117607519
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	443.193295
ΔH_f, kcal/mol:	51.6
Dipole, Da:	7.49
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(COCC2)C(=N1)C(=O)N3CCC(CC3)C4=CC=CC=C4N=[N+]=[N-]

DOS

IR

Vibrations