Geometry & MOs

Info

ID:	311750
PubChem CID:	126597627
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	487.177959
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	6.24
IP(EA), eV:	-8.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(difluoromethoxy)-1-[2-(methylamino)-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)N3C4=C(C=C(C=C4)OC)C=N3

DOS

IR

Vibrations