Geometry & MOs

Info

ID:	219004
PubChem CID:	85090347
Reduced:	O3C16H28 (2)
Stoich.:	A3B16C28 (2)
Weight, g/mol:	538.807605
ΔH_f, kcal/mol:	-375.35
Dipole, Da:	1.8
IP(EA), eV:	-9.68(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCC1C(CCC(C1C=CC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)(C)C)C(C)C

DOS

IR

Vibrations