Geometry & MOs

Info

ID:	169159
PubChem CID:	75068657
Reduced:	Si2O5C40H62 (1)
Stoich.:	A2B5C40D62 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-281.0
Dipole, Da:	4.51
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(benzylamino)methylidene]-6-oxocyclohexa-1,3-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC=C)CC(=O)OC(CC1C(O1)C=C)C(CC(C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations