Geometry & MOs

Info

ID:	21160
PubChem CID:	587371
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	3.05
IP(EA), eV:	-9.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-ethylidene-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC=C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations