Geometry & MOs

Info

ID:	176534
PubChem CID:	76063216
Reduced:	O2C13H23 (2)
Stoich.:	A2B13C23 (2)
Weight, g/mol:	507.392374
ΔH_f, kcal/mol:	-254.01
Dipole, Da:	4.57
IP(EA), eV:	-9.82(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 1-carbamoylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)(C)CCCC1CCC(=O)C1CCC=CC(C)(C)C(C(=O)OCC)O

DOS

IR

Vibrations