Geometry & MOs

Info

ID:	447543
PubChem CID:	135283732
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	325.064981
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	3.83
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)NCCC1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F

DOS

IR

Vibrations