Geometry & MOs

Info

ID:	311803
PubChem CID:	126597723
Reduced:	O3F4N6H18C24 (1)
Stoich.:	A3B4C6D18E24 (1)
Weight, g/mol:	380.139702
ΔH_f, kcal/mol:	-184.91
Dipole, Da:	2.74
IP(EA), eV:	-8.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-methylcyclopropyl)carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations