Geometry & MOs

Info

ID:	160155
PubChem CID:	57304871
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	466.511367
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	7.32
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hexadecan-8-yloxyhexadecane

Drug info:

PubChemData

Smile

CC=CCC1=C([C@@H](CC1=O)[C@@]2([C@@H](C2(C)C)C=C(C)C)C(=O)O)C

DOS

IR

Vibrations