Geometry & MOs

Info

ID:	123987
PubChem CID:	50868795
Reduced:	ClON3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	10.45
Dipole, Da:	8.24
IP(EA), eV:	-8.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations