Geometry & MOs

Info

ID:	85170
PubChem CID:	49872197
Reduced:	Si2O4C37H62 (1)
Stoich.:	A2B4C37D62 (1)
Weight, g/mol:	508.15537
ΔH_f, kcal/mol:	-292.32
Dipole, Da:	2.23
IP(EA), eV:	-8.75(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[1-(4-chlorophenyl)-5-(3-methylphenyl)pyrazol-3-yl]phenyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]([C@@H]([C@H]1/C=C/[C@H](CCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)CC=C)OC(=O)CCCC=C

DOS

IR

Vibrations