Geometry & MOs

Info

ID:	27320
PubChem CID:	820598
Reduced:	O2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	1.97
IP(EA), eV:	-9.57(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,8S)-6-ethyl-7-oxo-6-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=C(C(=C2)OC)C=O

DOS

IR

Vibrations