Geometry & MOs

Info

ID:	170110
PubChem CID:	75197576
Reduced:	FN3O5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	392.078405
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.66
IP(EA), eV:	-9.56(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C=CC3=CC=CC=C3[N+](=O)[O-])F

DOS

IR

Vibrations