Geometry & MOs

Info

ID:	221438
PubChem CID:	85273701
Reduced:	O3C20H20 (1)
Stoich.:	A3B20C20 (1)
Weight, g/mol:	308.120115
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	1.24
IP(EA), eV:	-9.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5-triphenylpent-2-en-4-yn-1-one

Drug info:

PubChemData

Smile

CCC(C12C(C=CO1)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations