Geometry & MOs

Info

ID:	247138
PubChem CID:	103068086
Reduced:	NS2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	256.98738
ΔH_f, kcal/mol:	35.79
Dipole, Da:	2.65
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=CC=CS1

DOS

IR

Vibrations