Geometry & MOs

Info

ID:	53395
PubChem CID:	14714893
Reduced:	CrNO4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	289.146664
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	5.06
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diphenyl-1-azabicyclo[4.2.1]non-7-en-9-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCN2C=C(C(C1)(C2=O)C3=CC=CC=C3)C4=CC=CC=C4.[Cr]

DOS

IR

Vibrations