Geometry & MOs

Info

ID:	209766
PubChem CID:	80718791
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	245.071288
ΔH_f, kcal/mol:	-103.32
Dipole, Da:	4.59
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoro-3-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)C(C)CC(C)C)F

DOS

IR

Vibrations