Geometry & MOs

Info

ID:	3063
PubChem CID:	9104
Reduced:	H9C16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	402.140851
ΔH_f, kcal/mol:	131.68
Dipole, Da:	0.11
IP(EA), eV:	-8.02(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),29-hexadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=CC7=CC8=CC=CC=C8C=C7C(=C65)C=C4

DOS

IR

Vibrations