Geometry & MOs

Info

ID:	123994
PubChem CID:	50869191
Reduced:	ClOF3N3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	478.06727
ΔH_f, kcal/mol:	-146.46
Dipole, Da:	8.11
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-(2-iodophenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations