Geometry & MOs

Info

ID:	123803
PubChem CID:	50862452
Reduced:	ClON3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	3.11
Dipole, Da:	8.87
IP(EA), eV:	-8.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations