Geometry & MOs

Info

ID:	220228
PubChem CID:	85176909
Reduced:	LiN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	4.6
Dipole, Da:	5.74
IP(EA), eV:	-6.74(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-oxo-3-oxa-1-azabicyclo[6.2.0]dec-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

[Li+].C[N-]C(CN1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations