Geometry & MOs

Info

ID:	311820
PubChem CID:	126597858
Reduced:	ClO3N6H19C20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	464.1476
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	1.32
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-chloro-1-[1-(1H-imidazol-2-yl)ethyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@@H]5CCCOC5

DOS

IR

Vibrations