Geometry & MOs

Info

ID:	322225
PubChem CID:	126669262
Reduced:	ClIN2O2C17H26 (1)
Stoich.:	ABC2D2E17F26 (1)
Weight, g/mol:	256.082347
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	2.12
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)CN(C)CCI

DOS

IR

Vibrations