Geometry & MOs

Info

ID:	146662
PubChem CID:	53727197
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	472.303618
ΔH_f, kcal/mol:	-79.98
Dipole, Da:	2.04
IP(EA), eV:	-8.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-bis(butanoyloxymethyl)-3-hexanoyloxypropyl] hexanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCOC[C@H]2CNCC[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations