Geometry & MOs

Info

ID:	328490
PubChem CID:	126723358
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	334.111756
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	3.46
IP(EA), eV:	-8.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methylidene]-1-hydroxy-1,3-dihydroindene-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(COC(=O)C(C)(C)C)N1CCOCC1

DOS

IR

Vibrations