Geometry & MOs

Info

ID:	150619
PubChem CID:	53790312
Reduced:	NO4C21H37 (1)
Stoich.:	AB4C21D37 (1)
Weight, g/mol:	450.298139
ΔH_f, kcal/mol:	-201.14
Dipole, Da:	2.97
IP(EA), eV:	-9.17(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] decanedioate

Drug info:

PubChemData

Smile

CCCCC(CNCC[C@@H]1[C@@H]2CC[C@H]([C@@H]1CC=CCCCC(=O)O)O2)O

DOS

IR

Vibrations