Geometry & MOs

Info

ID:	311749
PubChem CID:	126597626
Reduced:	ClO4N8H21C23 (1)
Stoich.:	AB4C8D21E23 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-methoxyindazol-1-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=NN(C5=C4C=CC(=C5)Cl)CCO

DOS

IR

Vibrations