Geometry & MOs

Info

ID:	312720
PubChem CID:	126607579
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	436.202302
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	4.47
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]-5,6-dihydroimidazo[1,2-b]pyridazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C(C1=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations