Geometry & MOs

Info

ID:	311782
PubChem CID:	126597689
Reduced:	FO3N6H17C18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	366.144038
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	5.61
IP(EA), eV:	-8.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)N3C4=C(C=C(C=C4)F)C=N3

DOS

IR

Vibrations