Geometry & MOs

Info

ID:	311807
PubChem CID:	126597733
Reduced:	O2F4N8H16C21 (1)
Stoich.:	A2B4C8D16E21 (1)
Weight, g/mol:	452.097536
ΔH_f, kcal/mol:	-133.95
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-1.11)
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-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(N1)C(F)(F)F)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations