Geometry & MOs

Info

ID:	123953
PubChem CID:	50867410
Reduced:	FN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	9.08
IP(EA), eV:	-8.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)OCC)C(=CC1(C)C)C

DOS

IR

Vibrations