Geometry & MOs

Info

ID:	311808
PubChem CID:	126597734
Reduced:	ClO2F3N6H16C19 (1)
Stoich.:	AB2C3D6E16F19 (1)
Weight, g/mol:	400.105066
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	2.59
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations