Geometry & MOs

Info

ID:

444896

PubChem CID:

135263890

Reduced:

F3O3N4C29H33 (1)

Stoich.:

A3B3C4D29E33 (1)

Weight, g/mol:

510.263091

ΔHf, kcal/mol:

-239.28

Dipole, Da:

6.2

IP(EA), eV:

 -9.09(-0.56)

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-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5CCC(CC5)C(F)(F)F)C=C3)C)N=N1

DOS

IR

Vibrations