Geometry & MOs

Info

ID:	271615
PubChem CID:	103685876
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	90.58
Dipole, Da:	3.42
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

C#CCSCCNCC1=CC=NC2=CC=CC=C12

DOS

IR

Vibrations