Geometry & MOs

Info

ID:	393804
PubChem CID:	135021719
Reduced:	NO4C16H16 (2)
Stoich.:	AB4C16D16 (2)
Weight, g/mol:	250.09938
ΔH_f, kcal/mol:	-250.89
Dipole, Da:	4.74
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-oxo-1H-indene-2-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C12C3=CC=CC=C3N(C2=O)C)C4(CC=C(C45C6=CC=CC=C6N(C5=O)C)C(=O)OCC)C(=O)OC

DOS

IR

Vibrations