Geometry & MOs

Info

ID:	148756
PubChem CID:	53788425
Reduced:	IO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	4.25
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-diazatricyclo[6.4.1.04,13]trideca-3,6,11-trien-9-one

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCC=CCC=CCCC(C(=O)O)O)I

DOS

IR

Vibrations