Geometry & MOs

Info

ID:	148949
PubChem CID:	53788619
Reduced:	ON7C28H35 (1)
Stoich.:	AB7C28D35 (1)
Weight, g/mol:	272.08373
ΔH_f, kcal/mol:	76.77
Dipole, Da:	3.09
IP(EA), eV:	-8.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-oxo-1H-inden-2-ylidene)methyl]inden-1-one

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=C(C=CN=C2)C3=CC=CC=C3C4=NNN=N4)C5C(CC5CC)CC

DOS

IR

Vibrations