Geometry & MOs

Info

ID:	184938
PubChem CID:	77233123
Reduced:	ClN4O4C26H31 (1)
Stoich.:	AB4C4D26E31 (1)
Weight, g/mol:	470.181487
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	6.1
IP(EA), eV:	-9.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(C)CC1C(C(C(N1)C(=O)OCC(CC(=O)N)O)C2=CC(=CC=C2)Cl)(C#N)C3=CN=CC=C3

DOS

IR

Vibrations