Geometry & MOs

Info

ID:	170111
PubChem CID:	75197577
Reduced:	N2O3F4H12C19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	404.098391
ΔH_f, kcal/mol:	-197.08
Dipole, Da:	4.91
IP(EA), eV:	-10.06(-1.49)
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-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C=CC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations