Geometry & MOs

Info

ID:	123912
PubChem CID:	50865144
Reduced:	ClFN3O3H21C24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	452.122688
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	10.52
IP(EA), eV:	-8.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)Cl)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F)C)(C)C

DOS

IR

Vibrations