Geometry & MOs

Info

ID:

427144

PubChem CID:

135155710

Reduced:

SO4F7N8H31C34 (1)

Stoich.:

AB4C7D8E31F34 (1)

Weight, g/mol:

431.257277

ΔHf, kcal/mol:

-381.13

Dipole, Da:

10.54

IP(EA), eV:

 -9.4(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methoxy-2,2-dimethyl-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C=C(C=N1)C2=NC=C3CN(CC3=N2)C(=O)C4=C(C=CC(=C4)CN5C(=O)[C@@](N=C5N)(CCCC(F)(F)F)C6=CC=C(C=C6)F)C(F)(F)F

DOS

IR

Vibrations