Geometry & MOs

Info

ID:	311755
PubChem CID:	126597636
Reduced:	F2O3N6H16C18 (1)
Stoich.:	A2B3C6D16E18 (1)
Weight, g/mol:	438.081886
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	2.47
IP(EA), eV:	-8.73(-1.17)
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-trifluoropropan-2-yl)carbamate

Drug info:

PubChemData

Smile

C[C@@H](COC)NC(=O)OC1=CNC2=NC=C(N=C12)C3=C4C(=CC(=CN4C=N3)F)F

DOS

IR

Vibrations