Geometry & MOs

Info

ID:	311789
PubChem CID:	126597702
Reduced:	ClO3N8H23C24 (1)
Stoich.:	AB3C8D23E24 (1)
Weight, g/mol:	408.171002
ΔH_f, kcal/mol:	32.36
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@H](C)C(=O)N5CC(C5)C#N

DOS

IR

Vibrations