Geometry & MOs

Info

ID:	271609
PubChem CID:	103685819
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	295.02562
ΔH_f, kcal/mol:	93.88
Dipole, Da:	4.58
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CNCCSCC#C

DOS

IR

Vibrations