Geometry & MOs

Info

ID:	438523
PubChem CID:	135228265
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	229.071448
ΔH_f, kcal/mol:	11.26
Dipole, Da:	1.33
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=N[C@H](CO1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations