Geometry & MOs

Info

ID:	144047
PubChem CID:	53304959
Reduced:	ClS2O3N7H30C34 (1)
Stoich.:	AB2C3D7E30F34 (1)
Weight, g/mol:	395.318815
ΔH_f, kcal/mol:	61.45
Dipole, Da:	5.62
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-[(E)-tetradec-1-enyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)CC4=NN=C(N4NC(=O)C5=CC=C(C=C5)Cl)SCC(=O)N/N=C/C6=CC=CC=C6

DOS

IR

Vibrations