Geometry & MOs

Info

ID:	50584
PubChem CID:	12013134
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	3.8
IP(EA), eV:	-9.94(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(4-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCOC1C(C(=NO1)C(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations