Geometry & MOs

Info

ID:	79629
PubChem CID:	49829781
Reduced:	NO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	406.259348
ΔH_f, kcal/mol:	-165.63
Dipole, Da:	5.32
IP(EA), eV:	-9.07(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

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]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCCC(=C)C1CC3C(C2)OC(=O)C3CN(C)CC(C4=CC=C(C=C4)O)O

DOS

IR

Vibrations