Geometry & MOs

Info

ID:	186476
PubChem CID:	77438793
Reduced:	FN3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	541.243753
ΔH_f, kcal/mol:	-17.42
Dipole, Da:	4.18
IP(EA), eV:	-8.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[5-(6-cyclopropylpyrazin-2-yl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)NC2=NC(=CN=C2)C3C4CC(CCC4NN3)C5=C(C=CC=C5F)F

DOS

IR

Vibrations