Geometry & MOs

Info

ID:	444486
PubChem CID:	135262614
Reduced:	ClFN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	490.230409
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	4.77
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-6-[5-methyl-6-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2)[C@@H]3CCNC[C@@H]3F.Cl

DOS

IR

Vibrations