Geometry & MOs

Info

ID:	44237
PubChem CID:	10502124
Reduced:	NO3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	418.156895
ΔH_f, kcal/mol:	-258.93
Dipole, Da:	2.33
IP(EA), eV:	-9.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-1,3,4-triphenylbutane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C([C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)C(=O)NC(C(=O)C)C(=O)OC

DOS

IR

Vibrations