Geometry & MOs

Info

ID:	269832
PubChem CID:	103619300
Reduced:	NSF3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	293.10612
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	3.15
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-propoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNCCSC(F)(F)F)C

DOS

IR

Vibrations