Geometry & MOs

Info

ID:	399240
PubChem CID:	135039044
Reduced:	O3H10C16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	274.139137
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	1.74
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-phenylsulfanylundec-4-en-2-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC=CC(=C2)C=O)C(=O)O

DOS

IR

Vibrations