Geometry & MOs

Info

ID:	28148
PubChem CID:	825854
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	269.068808
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	6.23
IP(EA), eV:	-10.46(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-3-phenylpropane-1,3-dione

Drug info:

PubChemData

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C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@@H]2O)C(=O)O

DOS

IR

Vibrations