Geometry & MOs

Info

ID:	311796
PubChem CID:	126597716
Reduced:	Cl2O3N8H24C26 (1)
Stoich.:	A2B3C8D24E26 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	28.8
Dipole, Da:	6.58
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@H](C5CC5)C(=O)N6CCC(CC6)C#N)Cl)Cl

DOS

IR

Vibrations