Geometry & MOs

Info

ID:	311751
PubChem CID:	126597628
Reduced:	F2O4N7C22H23 (1)
Stoich.:	A2B4C7D22E23 (1)
Weight, g/mol:	424.141452
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	1.63
IP(EA), eV:	-8.7(-1.12)
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-cyclohexylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=C(C=C4)OC(F)F)CC(=O)NC

DOS

IR

Vibrations