Geometry & MOs

Info

ID:	383688
PubChem CID:	134975551
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	0.6
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(2-phenyl-4H-1,3-oxazol-5-ylidene)acetate

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C2=CC=CC=C2)COC

DOS

IR

Vibrations