Geometry & MOs

Info

ID:	123991
PubChem CID:	50869139
Reduced:	BrClO2N3C25H25 (1)
Stoich.:	ABC2D3E25F25 (1)
Weight, g/mol:	478.06727
ΔH_f, kcal/mol:	1.11
Dipole, Da:	4.83
IP(EA), eV:	-7.96(-1.21)
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-(4-iodophenyl)methanimine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=CC1(C)C)C

DOS

IR

Vibrations