Geometry & MOs

Info

ID:	328145
PubChem CID:	126692252
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	408.151703
ΔH_f, kcal/mol:	76.59
Dipole, Da:	7.26
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(2E)-3-(3,5-dimethyl-2H-pyrrol-4-yl)-1-imidazolidin-2-ylidenepenta-2,4-dienyl]-8-fluoroquinoline

Drug info:

PubChemData

Smile

C=C1C2=CNN(C2=NN=N1)C3CCOCC3

DOS

IR

Vibrations