Geometry & MOs

Info

ID:	53397
PubChem CID:	14714897
Reduced:	CrNO4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	331.193614
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	4.68
IP(EA), eV:	-8.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-diphenyl-1-azabicyclo[7.2.1]dodec-10-en-12-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC2(C(=CN(C2=O)CCC1)C3=CC=CC=C3)C4=CC=CC=C4.[Cr]

DOS

IR

Vibrations