Geometry & MOs

Info

ID:	311740
PubChem CID:	126597606
Reduced:	ClO3N6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	388.144787
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	1.92
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethynylazetidin-1-yl)-2-[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)C

DOS

IR

Vibrations