Geometry & MOs

Info

ID:	123954
PubChem CID:	50867457
Reduced:	FO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-70.58
Dipole, Da:	6.13
IP(EA), eV:	-8.0(-0.27)
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-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=N/NC(=O)CC3=CC(=CC=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations