Geometry & MOs

Info

ID:	311743
PubChem CID:	126597615
Reduced:	FON6H17C21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	419.08975
ΔH_f, kcal/mol:	116.61
Dipole, Da:	3.58
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pyridin-3-ylcarbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(=N1)C3=CN=C4C(=N3)C(=CN4)C(=O)CN5CC(C5)C#C

DOS

IR

Vibrations