Geometry & MOs

Info

ID:	3064
PubChem CID:	9105
Reduced:	H9C16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	402.140851
ΔH_f, kcal/mol:	136.99
Dipole, Da:	0.07
IP(EA), eV:	-7.72(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octacyclo[14.14.2.02,11.04,9.013,31.017,26.019,24.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27,29-hexadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC7=CC8=CC=CC=C8C=C67)C=C4

DOS

IR

Vibrations