Geometry & MOs

Info

ID:

444946

PubChem CID:

135264032

Reduced:

Cl2O3N4H26C28 (1)

Stoich.:

A2B3C4D26E28 (1)

Weight, g/mol:

485.220223

ΔHf, kcal/mol:

-45.18

Dipole, Da:

5.08

IP(EA), eV:

 -9.05(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CC(=CC(=C5)Cl)Cl)C=C3)C)N=N1

DOS

IR

Vibrations