Geometry & MOs

Info

ID:

227756

PubChem CID:

87562398

Reduced:

SN2O3F6H16C21 (1)

Stoich.:

AB2C3D6E16F21 (1)

Weight, g/mol:

579.191629

ΔHf, kcal/mol:

-333.17

Dipole, Da:

4.26

IP(EA), eV:

 -9.57(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-aminoethyl)-8-chloro-N-(pyridin-3-ylmethyl)quinolin-2-amine;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CC1CC(C2=CC(=C(C(=C2)OCC(F)(F)F)C(F)(F)F)C3=CC4=NSN=C4C=C3)C(=O)O

DOS

IR

Vibrations