Geometry & MOs

Info

ID:	3081
PubChem CID:	9131
Reduced:	H6C11 (2)
Stoich.:	A6B11 (2)
Weight, g/mol:	276.0939
ΔH_f, kcal/mol:	99.58
Dipole, Da:	0.25
IP(EA), eV:	-8.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3

DOS

IR

Vibrations