Geometry & MOs

Info

ID:	409091
PubChem CID:	135081866
Reduced:	H5N5C8 (1)
Stoich.:	A5B5C8 (1)
Weight, g/mol:	234.153738
ΔH_f, kcal/mol:	109.04
Dipole, Da:	1.21
IP(EA), eV:	-9.18(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-ditert-butyl-7lambda5-phosphabicyclo[4.2.0]octa-1,3,5,7-tetraene

Drug info:

PubChemData

Smile

C1=CN=C2N=CC=C3N2C1=NC=N3

DOS

IR

Vibrations