Geometry & MOs

Info

ID:	50582
PubChem CID:	12013132
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	255.050713
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	2.44
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=O)C

DOS

IR

Vibrations