Geometry & MOs

Info

ID:	123956
PubChem CID:	50867459
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	346.184527
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	7.68
IP(EA), eV:	-8.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C\3/C(=O)NC(=O)N3)C(=CC1(C)C)C

DOS

IR

Vibrations