Geometry & MOs

Info

ID:

436822

PubChem CID:

135211910

Reduced:

F3O3N4C26H27 (1)

Stoich.:

A3B3C4D26E27 (1)

Weight, g/mol:

531.265255

ΔHf, kcal/mol:

-237.27

Dipole, Da:

3.88

IP(EA), eV:

 -8.67(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)NC3=CN(C=N3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations