Geometry & MOs

Info

ID:	396934
PubChem CID:	135029481
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	297.118735
ΔH_f, kcal/mol:	27.35
Dipole, Da:	2.39
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-tert-butyl-5-[phenyl(thiophen-2-yl)methylidene]-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC(=C2)Cl)C(=NC3=CC=CC=C3)O1

DOS

IR

Vibrations