Geometry & MOs

Info

ID:	124002
PubChem CID:	50869475
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	437.167018
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	9.7
IP(EA), eV:	-8.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-2-cyano-3-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations