Geometry & MOs

Info

ID:	311761
PubChem CID:	126597648
Reduced:	O2N7H19C20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	556.235808
ΔH_f, kcal/mol:	54.71
Dipole, Da:	2.54
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(difluoromethoxy)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations