Geometry & MOs

Info

ID:	271286
PubChem CID:	103654051
Reduced:	FSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	273.152892
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	3.22
IP(EA), eV:	-8.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNS(=O)(=O)C1=CC(=C(C=C1)F)C#N

DOS

IR

Vibrations