Geometry & MOs

Info

ID:	33064
PubChem CID:	7850526
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	355.087829
ΔH_f, kcal/mol:	-230.29
Dipole, Da:	5.92
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations