Geometry & MOs

Info

ID:	313454
PubChem CID:	126614815
Reduced:	NSO7C20H42 (2)
Stoich.:	ABC7D20E42 (2)
Weight, g/mol:	268.24023
ΔH_f, kcal/mol:	-721.61
Dipole, Da:	5.38
IP(EA), eV:	-9.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-3-(2-ethylhexoxy)oxane

Drug info:

PubChemData

Smile

CCCCC(CC)COCC(CN(CCCCCCN(CC(COCCCS(=O)(=O)O)O)CC(COCCCS(=O)(=O)O)O)CC(COCC(CC)CCCC)O)O

DOS

IR

Vibrations