Geometry & MOs

Info

ID:	308805
PubChem CID:	126522743
Reduced:	FON6H23C30 (1)
Stoich.:	ABC6D23E30 (1)
Weight, g/mol:	465.238942
ΔH_f, kcal/mol:	114.0
Dipole, Da:	5.72
IP(EA), eV:	-8.61(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3E)-3-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations