Geometry & MOs

Info

ID:	269839
PubChem CID:	103619325
Reduced:	SF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	327.030762
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	5.85
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCCSC(F)(F)F)N2C=CN=C2

DOS

IR

Vibrations