Geometry & MOs

Info

ID:

313538

PubChem CID:

126615629

Reduced:

FN2O3C39H45 (1)

Stoich.:

AB2C3D39E45 (1)

Weight, g/mol:

494.236956

ΔHf, kcal/mol:

-114.46

Dipole, Da:

5.69

IP(EA), eV:

 -8.43(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1C2=CC3=C(C=C2)OCCC3)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)CN(C)CC6CCOCC6)C

DOS

IR

Vibrations