Geometry & MOs

Info

ID:

445637

PubChem CID:

135268703

Reduced:

FON2C13H13 (2)

Stoich.:

ABC2D13E13 (2)

Weight, g/mol:

323.217304

ΔHf, kcal/mol:

-59.62

Dipole, Da:

4.13

IP(EA), eV:

 -8.85(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine

Drug info:

PubChemData

Smile

CC(=C([C@@H](C1=CC(=C(C=C1)F)C2=NC=NC3=C2C(=CC(=C3)N4CCOCC4)F)O)N=CC=C)C

DOS

IR

Vibrations