Geometry & MOs

Info

ID:	123876
PubChem CID:	50863642
Reduced:	FOCl2N3C25H26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	453.198318
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	11.58
IP(EA), eV:	-8.54(-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-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=CC(=C(C=C3)Cl)Cl)C(CC1(C)C)C

DOS

IR

Vibrations