Geometry & MOs

Info

ID:

427112

PubChem CID:

135155547

Reduced:

ClSF2N3O5C36H36 (1)

Stoich.:

ABC2D3E5F36G36 (1)

Weight, g/mol:

425.304228

ΔHf, kcal/mol:

-248.29

Dipole, Da:

8.8

IP(EA), eV:

 -8.76(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methoxy-2,2-dimethyl-1-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrocyclopenta[c]quinolin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)N(C(C(=O)N4CCC(CC4)C(=O)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)S(=O)O

DOS

IR

Vibrations