Geometry & MOs

Info

ID:	15984
PubChem CID:	457204
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	3.64
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-propoxyphenyl)sulfanylbut-2-ynyl]morpholine

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)SCC#CCN2CCOCC2

DOS

IR

Vibrations