Geometry & MOs

Info

ID:	50585
PubChem CID:	12013135
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	274.996091
ΔH_f, kcal/mol:	1.64
Dipole, Da:	2.32
IP(EA), eV:	-9.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CON=C1C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations