Geometry & MOs

Info

ID:	271116
PubChem CID:	103643859
Reduced:	N2O2F3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-239.03
Dipole, Da:	4.9
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=CC=C1)OC(F)(F)F)C(=O)N

DOS

IR

Vibrations