Geometry & MOs

Info

ID:	311794
PubChem CID:	126597714
Reduced:	ClO3N7H22C24 (1)
Stoich.:	AB3C7D22E24 (1)
Weight, g/mol:	463.233188
ΔH_f, kcal/mol:	26.29
Dipole, Da:	4.02
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

C[C@@H](COC)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)Cl)CC5=CN=CC=C5

DOS

IR

Vibrations