Geometry & MOs

Info

ID:	80574
PubChem CID:	49835209
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	401.15127
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	3.69
IP(EA), eV:	-7.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CN(C2=CC=C1)CCC(=O)N/N=C/C3=CC(=C(C=C3)OCC4=CC=NC=C4)OC)C

DOS

IR

Vibrations