Geometry & MOs

Info

ID:	406385
PubChem CID:	135077402
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	396.20893
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	1.47
IP(EA), eV:	-8.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-triphenyloct-3-yn-2-yl acetate

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C#C)OCC1=CC=C(C=C1)OC)C

DOS

IR

Vibrations