Geometry & MOs

Info

ID:	312713
PubChem CID:	126607556
Reduced:	FO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	497.251478
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	2.06
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[1-methyl-3-(4-methylphenyl)-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine

Drug info:

PubChemData

Smile

C1/C=C/COC2=NC(=C3C(=C2)N(CC4=CC(=C(C=C4)F)O1)C(N3)O)N

DOS

IR

Vibrations