Geometry & MOs

Info

ID:	25137
PubChem CID:	619410
Reduced:	C11H14 (2)
Stoich.:	A11B14 (2)
Weight, g/mol:	250.085461
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	0.13
IP(EA), eV:	-8.42(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1,3,4,7-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-8-one

Drug info:

PubChemData

Smile

C1CC2CCC3CCC4CCC5CCCC6=C(C1)C2=C3C4=C56

DOS

IR

Vibrations