Geometry & MOs

Info

ID:	247195
PubChem CID:	103068612
Reduced:	BrSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	256.080097
ΔH_f, kcal/mol:	67.27
Dipole, Da:	1.14
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloropyridin-2-yl)sulfanylmethyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CSC2=NC=C(C=C2)Br

DOS

IR

Vibrations