Geometry & MOs

Info

ID:	393899
PubChem CID:	135021926
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-171.64
Dipole, Da:	6.33
IP(EA), eV:	-9.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,6S,9S)-4,4-dimethyl-3,5-dioxatricyclo[7.5.0.02,6]tetradeca-1(14),10-diene-10,11-dicarboxylate

Drug info:

PubChemData

Smile

CC#CC(=O)O[C@@H]1C=C([C@@H]2[C@H]([C@@H]1NC(=O)C)OC(O2)(C)C)C3CC3

DOS

IR

Vibrations