Geometry & MOs

Info

ID:	311785
PubChem CID:	126597694
Reduced:	FO2N7H14C19 (1)
Stoich.:	AB2C7D14E19 (1)
Weight, g/mol:	438.181567
ΔH_f, kcal/mol:	57.19
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-1.16)
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-[1-(2-hydroxypropan-2-yl)cyclobutyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC5(CC5)C#N

DOS

IR

Vibrations