Geometry & MOs

Info

ID:	311765
PubChem CID:	126597653
Reduced:	ClO3N6H17C18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	0.93
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)C

DOS

IR

Vibrations