Geometry & MOs

Info

ID:	220491
PubChem CID:	85195559
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	1.01
IP(EA), eV:	-9.98(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCCCC=C)COC1CCCCO1

DOS

IR

Vibrations