Geometry & MOs

Info

ID:	312725
PubChem CID:	126607593
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	446.13028
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	1.47
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC(C)(C)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3N(C2=O)C

DOS

IR

Vibrations