Geometry & MOs

Info

ID:	311759
PubChem CID:	126597645
Reduced:	O3N8C24H28 (1)
Stoich.:	A3B8C24D28 (1)
Weight, g/mol:	454.176481
ΔH_f, kcal/mol:	4.55
Dipole, Da:	4.73
IP(EA), eV:	-8.6(-0.66)
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-[2-methoxy-1-(oxolan-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4CCC(C5)(C)C)C

DOS

IR

Vibrations