Geometry & MOs

Info

ID:	311725
PubChem CID:	126597481
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	414.145181
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	6.43
IP(EA), eV:	-9.66(0.35)
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-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C#N)C(=O)[C@@H](C2CC2)N

DOS

IR

Vibrations