Geometry & MOs

Info

ID:	483
PubChem CID:	2825
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	3.75
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations