Geometry & MOs

Info

ID:	437240
PubChem CID:	135216746
Reduced:	ClFN3O3C28H31 (1)
Stoich.:	ABC3D3E28F31 (1)
Weight, g/mol:	427.263506
ΔH_f, kcal/mol:	-128.9
Dipole, Da:	4.92
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-(2-methylbutoxy)pyridin-3-yl]-2-methylpyridin-3-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=CC(=C(N=C3)OCCC4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations