Geometry & MOs

Info

ID:	390736
PubChem CID:	135000637
Reduced:	BSiO3C24H33 (1)
Stoich.:	ABC3D24E33 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-190.12
Dipole, Da:	3.74
IP(EA), eV:	-8.42(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5,5-dimethyl-2-(4-methyl-3-phenylpentanoyl)pyrazolidin-3-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C(=C/C2=CC=CC=C2OC)/[Si](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations