Geometry & MOs

Info

ID:	311791
PubChem CID:	126597709
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	440.136366
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	5.5
IP(EA), eV:	-8.38(-0.77)
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-(oxolan-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations