Geometry & MOs

Info

ID:	386711
PubChem CID:	134982645
Reduced:	OC6H8 (5)
Stoich.:	AB6C8 (5)
Weight, g/mol:	360.281701
ΔH_f, kcal/mol:	-199.21
Dipole, Da:	7.1
IP(EA), eV:	-9.39(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[10.9.5.13,20.09,14]heptacosa-1,3(27),9(14),10,12,20-hexaene

Drug info:

PubChemData

Smile

C[C@@]12CCC3C(C1CC[C@@H]2/C=C/4\CC(CC4=C)(C(=O)OC)C(=O)OC)CCC5=CC(=O)CC[C@]35C

DOS

IR

Vibrations