Geometry & MOs

Info

ID:	386674
PubChem CID:	134982505
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	528.469502
ΔH_f, kcal/mol:	2.58
Dipole, Da:	1.8
IP(EA), eV:	-9.23(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[13.13.9.13,27.113,17]nonatriaconta-1(28),2,13,15,17(39),27(38)-hexaene

Drug info:

PubChemData

Smile

COCC1=C[C@@]2(CCCC[C@H]1C=C2)OC

DOS

IR

Vibrations