Geometry & MOs

Info

ID:	247810
PubChem CID:	103073326
Reduced:	NSC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	256.092186
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	3.05
IP(EA), eV:	-8.8(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylphenoxy)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCC2(CCCC2)CC1)CS

DOS

IR

Vibrations