Geometry & MOs

Info

ID:	159015
PubChem CID:	57244540
Reduced:	O3N6H36C41 (1)
Stoich.:	A3B6C36D41 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	140.64
Dipole, Da:	4.58
IP(EA), eV:	-9.6(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-8-pentoxy-5,6-dihydrobenzo[f]quinoline

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4(N=NN=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O)CO

DOS

IR

Vibrations