Geometry & MOs

Info

ID:	124023
PubChem CID:	50869939
Reduced:	ON2C29H32 (1)
Stoich.:	AB2C29D32 (1)
Weight, g/mol:	477.206385
ΔH_f, kcal/mol:	29.88
Dipole, Da:	6.24
IP(EA), eV:	-7.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)C=NC3=CC=C(C=C3)C4=CC=CC=C4)C(=CC1(C)C)C

DOS

IR

Vibrations