Geometry & MOs

Info

ID:	264582
PubChem CID:	103472247
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	301.103811
ΔH_f, kcal/mol:	55.45
Dipole, Da:	10.11
IP(EA), eV:	-9.24(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CNC1CCCN(C1)C2=NC(=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations