Geometry & MOs

Info

ID:	311813
PubChem CID:	126597750
Reduced:	ClO2N6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	439.14043
ΔH_f, kcal/mol:	22.87
Dipole, Da:	1.61
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations