Geometry & MOs

Info

ID:	123941
PubChem CID:	50866444
Reduced:	ClN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	11.09
IP(EA), eV:	-8.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations