Geometry & MOs

Info

ID:	123911
PubChem CID:	50865117
Reduced:	ClON3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	453.125547
ΔH_f, kcal/mol:	25.66
Dipole, Da:	7.28
IP(EA), eV:	-8.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC3=C(C=C2Cl)N(C(C=C3C)(C)C)C)/C#N

DOS

IR

Vibrations