Geometry & MOs

Info

ID:	311722
PubChem CID:	126597394
Reduced:	FNO6H26C27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	370.094501
ΔH_f, kcal/mol:	-210.02
Dipole, Da:	5.94
IP(EA), eV:	-9.25(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-ethylcarbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC(=O)O)C2=C3CN(CCC3=C(C=C2)F)OC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations