Geometry & MOs

Info

ID:	311787
PubChem CID:	126597697
Reduced:	ClO3N7H20C23 (1)
Stoich.:	AB3C7D20E23 (1)
Weight, g/mol:	365.160023
ΔH_f, kcal/mol:	18.63
Dipole, Da:	8.28
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazolo[3,4-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=CN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations