Geometry & MOs

Info

ID:	247133
PubChem CID:	103068045
Reduced:	NSCl2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	253.130049
ΔH_f, kcal/mol:	10.85
Dipole, Da:	2.06
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations