Geometry & MOs

Info

ID:	399766
PubChem CID:	135042461
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	0.8
IP(EA), eV:	-10.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-phenylhept-6-en-1-yn-3-yl] acetate

Drug info:

PubChemData

Smile

COC1(C=CC(=O)C=C1)C2=CC=CC=C2C=O

DOS

IR

Vibrations