Geometry & MOs

Info

ID:

310542

PubChem CID:

126581807

Reduced:

FO2N4C36H47 (1)

Stoich.:

AB2C4D36E47 (1)

Weight, g/mol:

533.30537

ΔHf, kcal/mol:

-119.45

Dipole, Da:

3.73

IP(EA), eV:

 -8.75(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[6-amino-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CN)C)CC(=O)OC(C)C)N5CCC(CC5)(C)C

DOS

IR

Vibrations