Geometry & MOs

Info

ID:

436656

PubChem CID:

135206665

Reduced:

N3O4C29H43 (1)

Stoich.:

A3B4C29D43 (1)

Weight, g/mol:

595.34215

ΔHf, kcal/mol:

-181.35

Dipole, Da:

6.88

IP(EA), eV:

 -8.58(-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]-2-methoxy-4H-pyridin-3-yl]-2-(2-methylbutan-2-yloxy)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OCC(C)C)C2=CN=C(C(=C2N3CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations