Geometry & MOs

Info

ID:	220413
PubChem CID:	85182451
Reduced:	Si2O6C23H50 (1)
Stoich.:	A2B6C23D50 (1)
Weight, g/mol:	479.145676
ΔH_f, kcal/mol:	-445.45
Dipole, Da:	2.17
IP(EA), eV:	-8.74(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C(C)(C)C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O

DOS

IR

Vibrations