Geometry & MOs

Info

ID:	225009
PubChem CID:	85735481
Reduced:	NC14H15 (1)
Stoich.:	AB14C15 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	106.19
Dipole, Da:	2.78
IP(EA), eV:	-8.18(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2-phenylsulfanylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CC#CCN(CC#CC)C1=CC=CC=C1

DOS

IR

Vibrations