Geometry & MOs

Info

ID:	123715
PubChem CID:	50859577
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	334.184527
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	8.49
IP(EA), eV:	-8.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C\3/C(=O)NC(=O)N3)C)(C)C

DOS

IR

Vibrations