Geometry & MOs

Info

ID:	124003
PubChem CID:	50869476
Reduced:	ClFON3C25H25 (1)
Stoich.:	ABCD3E25F25 (1)
Weight, g/mol:	447.128046
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	7.19
IP(EA), eV:	-8.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations