Geometry & MOs

Info

ID:	311742
PubChem CID:	126597614
Reduced:	ClO2N6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	388.144787
ΔH_f, kcal/mol:	23.79
Dipole, Da:	2.36
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations