Geometry & MOs

Info

ID:	180313
PubChem CID:	76613938
Reduced:	SK2N2O6H10C13 (1)
Stoich.:	AB2C2D6E10F13 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-209.21
Dipole, Da:	15.5
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-6-(1-hydroxyethyl)-3-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])SOOC.[K+].[K+]

DOS

IR

Vibrations