Geometry & MOs

Info

ID:	311776
PubChem CID:	126597674
Reduced:	ClO2N8C23H23 (1)
Stoich.:	AB2C8D23E23 (1)
Weight, g/mol:	421.129866
ΔH_f, kcal/mol:	61.04
Dipole, Da:	3.48
IP(EA), eV:	-8.66(-1.0)
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-[(1R)-1-(1,3-oxazol-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(CN1CCC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations