Geometry & MOs

Info

ID:	307669
PubChem CID:	125307965
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	374.09906
ΔH_f, kcal/mol:	-50.49
Dipole, Da:	6.81
IP(EA), eV:	-8.89(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(5-phenyl-3H-pyrazol-4-yl)-3-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations