Geometry & MOs

Info

ID:	321490
PubChem CID:	126666283
Reduced:	BrClON5H11C13 (1)
Stoich.:	ABCD5E11F13 (1)
Weight, g/mol:	725.422629
ΔH_f, kcal/mol:	35.03
Dipole, Da:	2.41
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCN2C(=O)C3=C(N=CN3)N=C2N)Cl)Br

DOS

IR

Vibrations