Geometry & MOs

Info

ID:	386990
PubChem CID:	134983628
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	3.95
IP(EA), eV:	-9.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,12-diazabicyclo[8.2.2]tetradeca-1(12),10,13-triene

Drug info:

PubChemData

Smile

CC(C)/C=C\C=C\CCC(=O)CC(=O)C

DOS

IR

Vibrations