Geometry & MOs

Info

ID:	123800
PubChem CID:	50862449
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	499.142947
ΔH_f, kcal/mol:	0.34
Dipole, Da:	4.56
IP(EA), eV:	-7.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(2,3-dichlorophenyl)-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=NC3=CN=C(C=C3)OC)C(CC1(C)C)C

DOS

IR

Vibrations