Geometry & MOs

Info

ID:	3087
PubChem CID:	9139
Reduced:	H9C16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	402.140851
ΔH_f, kcal/mol:	140.4
Dipole, Da:	0.09
IP(EA), eV:	-7.72(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octacyclo[22.6.2.02,19.04,17.06,15.08,13.021,31.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(32),25,27,29-hexadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C=C5C6=C7C(=CC5=CC4=CC3=CC2=C1)C=CC8=C7C(=CC=C8)C=C6

DOS

IR

Vibrations