Geometry & MOs

Info

ID:	123797
PubChem CID:	50862373
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	419.203134
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	7.47
IP(EA), eV:	-8.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-anilino-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C=NC3=CC=C(C=C3)C(=O)C)C(CC1(C)C)C

DOS

IR

Vibrations