Geometry & MOs

Info

ID:	247163
PubChem CID:	103068342
Reduced:	NSF2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	261.079905
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	1.56
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CN)CSC1=C(C=CC(=C1)F)F

DOS

IR

Vibrations