Geometry & MOs

Info

ID:	149167
PubChem CID:	53788839
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	3.21
IP(EA), eV:	-9.3(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-2-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C(=C)C

DOS

IR

Vibrations