Geometry & MOs

Info

ID:	37579
PubChem CID:	8022406
Reduced:	OC8H14 (1)
Stoich.:	AB8C14 (1)
Weight, g/mol:	250.071547
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	5.32
IP(EA), eV:	-9.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2R,9R,10R,11S)-8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylate

Drug info:

PubChemData

Smile

CC(C)C/C(=C\C=O)/C

DOS

IR

Vibrations