Geometry & MOs

Info

ID:	311804
PubChem CID:	126597724
Reduced:	FO2N6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	451.115965
ΔH_f, kcal/mol:	10.65
Dipole, Da:	0.95
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-chloro-1-(1,2-oxazol-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC1(CC1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations