Geometry & MOs

Info

ID:	79630
PubChem CID:	49829785
Reduced:	NO5C23H36 (1)
Stoich.:	AB5C23D36 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-208.51
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754749
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(1R,10R)-10,14-dimethyl-6-oxo-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-5-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[NH+](C1)CC2C3C(C[C@]4(CCCC([C@]45C3O5)C)C)OC2=O

DOS

IR

Vibrations