Geometry & MOs

Info

ID:	269842
PubChem CID:	103619357
Reduced:	SF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	315.09047
ΔH_f, kcal/mol:	-91.57
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxynaphthalen-1-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)CNCCSC(F)(F)F

DOS

IR

Vibrations