Geometry & MOs

Info

ID:	40457
PubChem CID:	8144163
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	335.14339
ΔH_f, kcal/mol:	36.8
Dipole, Da:	4.86
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(4-fluorophenyl)butylideneamino]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations