Geometry & MOs

Info

ID:

436621

PubChem CID:

135206218

Reduced:

N3O4C29H43 (1)

Stoich.:

A3B4C29D43 (1)

Weight, g/mol:

537.300285

ΔHf, kcal/mol:

-165.0

Dipole, Da:

8.85

IP(EA), eV:

 -8.24(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4-(4,4-dimethylpiperidin-1-yl)-6-methylpyridin-3-yl]-3-[2-(4-fluorophenyl)ethoxy]-4H-pyridin-3-yl]-2-propan-2-yloxyacetic acid

Drug info:

PubChemData

Smile

CCCCOC1=CN=C(C=C1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C)CC

DOS

IR

Vibrations