Geometry & MOs

Info

ID:	446607
PubChem CID:	135276349
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	466.249252
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	2.92
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCOC(C6)C(C)O

DOS

IR

Vibrations