Geometry & MOs

Info

ID:	224251
PubChem CID:	85340749
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	3.6
IP(EA), eV:	-9.53(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(dimethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

Drug info:

PubChemData

Smile

COC(C1CC2C3=CC=CC=C3C1O2)C(=O)OC

DOS

IR

Vibrations