Geometry & MOs

Info

ID:	438458
PubChem CID:	135228199
Reduced:	ClNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	229.071448
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	2.47
IP(EA), eV:	-9.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC(CO1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations