Geometry & MOs

Info

ID:	394781
PubChem CID:	135023803
Reduced:	NO4C37H55 (1)
Stoich.:	AB4C37D55 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	8.74
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (10R)-1-methyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC3=CC=C(C=C3)/C=C/[N+](=O)[O-])C

DOS

IR

Vibrations