Geometry & MOs

Info

ID:	270224
PubChem CID:	103635504
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	317.080968
ΔH_f, kcal/mol:	-165.73
Dipole, Da:	1.65
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations