Geometry & MOs

Info

ID:	3075
PubChem CID:	9123
Reduced:	H9C16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	402.140851
ΔH_f, kcal/mol:	123.61
Dipole, Da:	0.01
IP(EA), eV:	-8.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(31),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27,29-hexadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=C5C(=CC=C4)C6=CC7=CC=CC=C7C=C6C8=CC=CC(=C85)C3=CC2=C1

DOS

IR

Vibrations