Geometry & MOs

Info

ID:	311760
PubChem CID:	126597647
Reduced:	FO4N6C22H23 (1)
Stoich.:	AB4C6D22E23 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	0.42
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-cyano-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC(COC)C5CCCO5

DOS

IR

Vibrations