Geometry & MOs

Info

ID:	386887
PubChem CID:	134983270
Reduced:	NaH9C12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	382.172151
ΔH_f, kcal/mol:	40.23
Dipole, Da:	4.27
IP(EA), eV:	-6.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12E,14E,16E,18Z,20E,22E,24E)-tricyclo[24.4.0.06,11]triaconta-1(30),6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-2,4-diyne

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(\[C-]2C=CC=C2)/C3=CC=CC=C3)/[C-]4C=CC=C4.[Na+].[Na+]

DOS

IR

Vibrations