Geometry & MOs

Info

ID:	311744
PubChem CID:	126597618
Reduced:	ClO2N7H14C20 (1)
Stoich.:	AB2C7D14E20 (1)
Weight, g/mol:	464.141988
ΔH_f, kcal/mol:	79.26
Dipole, Da:	3.6
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-methyl-6-(trifluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC5=CN=CC=C5

DOS

IR

Vibrations