Geometry & MOs

Info

ID:	446972
PubChem CID:	135279219
Reduced:	O2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	498.275467
ΔH_f, kcal/mol:	-151.78
Dipole, Da:	3.13
IP(EA), eV:	-9.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations