Geometry & MOs

Info

ID:	177454
PubChem CID:	76186574
Reduced:	FO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	444.149222
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	3.06
IP(EA), eV:	-9.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynyl 4-(4-chlorophenyl)-6-(4-methylphenyl)-6-oxo-3-phenylhexanoate

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C(C2=CC=CC=C2F)O

DOS

IR

Vibrations