Geometry & MOs

Info

ID:	48102
PubChem CID:	10537160
Reduced:	N3O4C9H11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	2.41
IP(EA), eV:	-10.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5Z,8R)-10-oxo-3-oxa-1-azabicyclo[6.2.0]dec-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=O)N1CCCC1=O)\[N+]#N)/[O-]

DOS

IR

Vibrations