Geometry & MOs

Info

ID:

310553

PubChem CID:

126582033

Reduced:

FN3O4C36H46 (1)

Stoich.:

AB3C4D36E46 (1)

Weight, g/mol:

545.30537

ΔHf, kcal/mol:

-186.25

Dipole, Da:

3.32

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CNCC2CCOCC2)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC(CC5)(C)C)CC(=O)O

DOS

IR

Vibrations