Geometry & MOs

Info

ID:	398900
PubChem CID:	135036154
Reduced:	Si2O3N4C22H38 (1)
Stoich.:	A2B3C4D22E38 (1)
Weight, g/mol:	529.05564
ΔH_f, kcal/mol:	-171.76
Dipole, Da:	7.75
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,2-bis(4-hydroxyphenyl)-3a-(2-methylpropyl)-7H-pyrrolo[1,2-a][3,1]benzoxazin-7-ide-3,5-dione;yttrium

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC(=C2C#N)C#N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations