Geometry & MOs

Info

ID:	413023
PubChem CID:	135085967
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	234.104465
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	6.38
IP(EA), eV:	-9.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4-methylphenyl)methylidene]-1H-inden-2-one

Drug info:

PubChemData

Smile

CCC/C=C\CNS(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations