Geometry & MOs

Info

ID:	191254
PubChem CID:	78123936
Reduced:	Cl2N8O19H68C73 (1)
Stoich.:	A2B8C19D68E73 (1)
Weight, g/mol:	353.271865
ΔH_f, kcal/mol:	-454.63
Dipole, Da:	9.6
IP(EA), eV:	-8.22(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-tetradec-4-enylquinolin-4-one

Drug info:

Smile

CC(C)(C)OC(=O)NC1C2=CC(=C(C=C2)O)OC3=CC(=CC(=C3)O)C4C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)NC23CC5CC(C2)CC(C5)C3)O)Cl)O)OC2=C(C=C(CC(C(=O)N4)NC1=O)C=C2)Cl

DOS

IR

Vibrations