Geometry & MOs

Info

ID:	186108
PubChem CID:	77390977
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	552.209673
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	2.9
IP(EA), eV:	-9.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-3-yl)-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=CCCCC2=CC=CC=C2)C(=O)N)O

DOS

IR

Vibrations