Geometry & MOs

Info

ID:	311767
PubChem CID:	126597657
Reduced:	ClO2F3N7H21C22 (1)
Stoich.:	AB2C3D7E21F22 (1)
Weight, g/mol:	474.18271
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	2.68
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(difluoromethoxy)-1-(3-hydroxypropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@@H]5CCCN(C5)CC(F)(F)F

DOS

IR

Vibrations