Geometry & MOs

Info

ID:	271607
PubChem CID:	103685816
Reduced:	ClNSO2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	2.75
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-propoxyphenyl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

C#CCSCCNCC1=CC2=C(C(=C1)Cl)OCCO2

DOS

IR

Vibrations