Geometry & MOs

Info

ID:	215399
PubChem CID:	85084681
Reduced:	O12C51H74 (1)
Stoich.:	A12B51C74 (1)
Weight, g/mol:	878.08108
ΔH_f, kcal/mol:	-431.35
Dipole, Da:	5.11
IP(EA), eV:	-8.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)OCC4=CC=CC=C4)OC)C)O)C)C5C(CC(O5)C6C(CC(C7(O6)COC(O7)C8=CC=C(C=C8)OC)C)C)C

DOS

IR

Vibrations