Geometry & MOs

Info

ID:

445008

PubChem CID:

135264258

Reduced:

ON6C19H29 (1)

Stoich.:

AB6C19D29 (1)

Weight, g/mol:

337.115045

ΔHf, kcal/mol:

43.09

Dipole, Da:

1.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.298787

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[7-(imidazol-2-ylidenemethylamino)-4-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[N+]1=C(N(C=C1)CCCCN)N=NC2=CC(=C(C=C2)N3CCCC3)OC

DOS

IR

Vibrations