Geometry & MOs

Info

ID:	50389
PubChem CID:	12012916
Reduced:	NBr2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	400.131074
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	4.91
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-5-methyl-3-(3-oxo-3-phenylpropanoyl)phenyl]-3-phenylpropane-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)N1C(=C2[C@H]3[C@H](C[C@H]([C@H]3Br)O2)CC14CCCCC4)Br

DOS

IR

Vibrations