Geometry & MOs

Info

ID:	311815
PubChem CID:	126597755
Reduced:	ClO2N6H19C24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	421.129866
ΔH_f, kcal/mol:	60.67
Dipole, Da:	2.22
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@@H]5CCC6=CC=CC=C56

DOS

IR

Vibrations