Geometry & MOs

Info

ID:	410720
PubChem CID:	135083521
Reduced:	BSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	3.71
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-phenylhept-4-en-6-yn-3-ol

Drug info:

PubChemData

Smile

B(/C=C/C1=CC=CS1)(OCC)OCC

DOS

IR

Vibrations