Geometry & MOs

Info

ID:

310552

PubChem CID:

126582011

Reduced:

FN2O4C30H35 (1)

Stoich.:

AB2C4D30E35 (1)

Weight, g/mol:

603.347235

ΔHf, kcal/mol:

-180.16

Dipole, Da:

5.02

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-6-[(oxan-4-ylmethylamino)methyl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C)CC(=O)O

DOS

IR

Vibrations