Geometry & MOs

Info

ID:	124004
PubChem CID:	50869477
Reduced:	FOCl2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	429.221641
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	8.49
IP(EA), eV:	-8.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=N\NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations