Geometry & MOs

Info

ID:	123804
PubChem CID:	50862453
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	433.218784
ΔH_f, kcal/mol:	-128.46
Dipole, Da:	11.12
IP(EA), eV:	-8.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-methylanilino)-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=C3C(=O)NC(=O)NC3=O)C(CC1(C)C)C

DOS

IR

Vibrations