Geometry & MOs

Info

ID:	384923
PubChem CID:	134977970
Reduced:	H14C17 (2)
Stoich.:	A14B17 (2)
Weight, g/mol:	396.281701
ΔH_f, kcal/mol:	197.42
Dipole, Da:	0.87
IP(EA), eV:	-8.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,13-dibutylhexacyclo[11.9.0.02,10.05,9.014,22.017,21]docosa-2(10),3,5(9),11,14(22),15,17(21)-heptaene

Drug info:

PubChemData

Smile

C1CC2=C(C1)C/3=C(C=C2)/C=C\C4=C(C5=C(CCC5)C=C4)/C(=C3/C6=CC=CC=C6)/C7=CC=CC=C7

DOS

IR

Vibrations