Geometry & MOs

Info

ID:	311733
PubChem CID:	126597592
Reduced:	BrFO2N6H20C25 (1)
Stoich.:	ABC2D6E20F25 (1)
Weight, g/mol:	410.170253
ΔH_f, kcal/mol:	31.81
Dipole, Da:	2.5
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC5(CCC5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations