Geometry & MOs

Info

ID:	440939
PubChem CID:	135232364
Reduced:	OH20C27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	358.135765
ΔH_f, kcal/mol:	66.89
Dipole, Da:	0.57
IP(EA), eV:	-7.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),14,18,21,23,25,27-dodecaene

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(C2)C=CC4=C5C=CCCC5=C6C7=CC=CC=C7OC6=C43

DOS

IR

Vibrations