Geometry & MOs

Info

ID:	228064
PubChem CID:	87563309
Reduced:	O3C14H20 (2)
Stoich.:	A3B14C20 (2)
Weight, g/mol:	242.260966
ΔH_f, kcal/mol:	-279.99
Dipole, Da:	2.05
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylhexan-3-yloxy)-2,5-dimethylhexane

Drug info:

PubChemData

Smile

CC(C)CC(C1CC[C@@](C2C1(CCC3C2C3(C)C)C)(C)O)C4=C(C(=C(C(=C4O)C=O)O)C=O)O

DOS

IR

Vibrations