Geometry & MOs

Info

ID:	123977
PubChem CID:	50868546
Reduced:	Br2O2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-27.61
Dipole, Da:	5.72
IP(EA), eV:	-7.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations