Geometry & MOs

Info

ID:	383601
PubChem CID:	134975404
Reduced:	NPdO2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	58.64
Dipole, Da:	2.42
IP(EA), eV:	-7.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylimino-4H-chromen-2-one

Drug info:

PubChemData

Smile

[CH-]1C2=CC=CC=C2OC(=O)C1=NCC3=CC=CC=[C-]3.[Pd+2]

DOS

IR

Vibrations