Geometry & MOs

Info

ID:	311805
PubChem CID:	126597725
Reduced:	ClO3N7H18C21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	433.166251
ΔH_f, kcal/mol:	49.28
Dipole, Da:	3.24
IP(EA), eV:	-8.69(-1.0)
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-(3-cyanocyclobutyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)CC5=NOC=C5

DOS

IR

Vibrations