Geometry & MOs

Info

ID:

186244

PubChem CID:

77411001

Reduced:

N3O3C25H31 (1)

Stoich.:

A3B3C25D31 (1)

Weight, g/mol:

790.338935

ΔHf, kcal/mol:

-84.41

Dipole, Da:

3.6

IP(EA), eV:

 -9.11(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-2,3-dimethylcyclopropane-1,1-dicarboxamide;2,3-dimethylcyclopropane-1,1-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)NC2CC3=CC=CC=C3C2O)OC)C(C)(C)C#N

DOS

IR

Vibrations