Geometry & MOs

Info

ID:	181331
PubChem CID:	76730986
Reduced:	NSiO6C30H41 (1)
Stoich.:	ABC6D30E41 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-228.28
Dipole, Da:	1.62
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-3-methyl-3-[(4-phenylphenyl)methoxy]-4-pyrazolidin-3-ylbutan-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(C=C2)COC(C)(C(C3=NOC(=C3)CO[Si](C)(C)C(C)(C)C)O)C(=O)CO

DOS

IR

Vibrations