Geometry & MOs

Info

ID:	311739
PubChem CID:	126597601
Reduced:	ClO4N8H21C23 (1)
Stoich.:	AB4C8D21E23 (1)
Weight, g/mol:	470.183316
ΔH_f, kcal/mol:	4.75
Dipole, Da:	4.03
IP(EA), eV:	-8.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(6-hydroxy-6-methylheptan-2-yl)carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@H](COC)C(=O)N5CC(C5)C#N

DOS

IR

Vibrations