Geometry & MOs

Info

ID:	309645
PubChem CID:	126551824
Reduced:	NO10C36H63 (1)
Stoich.:	AB10C36D63 (1)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-515.52
Dipole, Da:	5.09
IP(EA), eV:	-9.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-prop-2-enoyloxyhexyl 4-ethylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)CC([C@@H]1[C@H](C[C@H]([C@@](O1)(C(=O)C(=O)N2CCCCC2C(=O)OC(CC)C(C)C(CC(=O)C(C)CCC)O)O)C)OC)OC

DOS

IR

Vibrations