Geometry & MOs

Info

ID:	123877
PubChem CID:	50863643
Reduced:	ClFON3C26H29 (1)
Stoich.:	ABCD3E26F29 (1)
Weight, g/mol:	433.252941
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	9.09
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(4-ethylphenyl)-3-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations