Geometry & MOs

Info

ID:	50579
PubChem CID:	12013129
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	207.008706
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	4.81
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations