Geometry & MOs

Info

ID:	12672
PubChem CID:	143333
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	1.92
IP(EA), eV:	-8.99(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-azabicyclo[3.2.1]octa-3,6-diene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1C=CC2CC1C=C2

DOS

IR

Vibrations