Geometry & MOs

Info

ID:	123702
PubChem CID:	50859564
Reduced:	FOCl2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	425.167018
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	11.75
IP(EA), eV:	-8.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)Cl)Cl)C)(C)C

DOS

IR

Vibrations