Geometry & MOs

Info

ID:	247198
PubChem CID:	103068639
Reduced:	NSCl2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	20.35
Dipole, Da:	4.79
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations