Geometry & MOs

Info

ID:	13820
PubChem CID:	398853
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	2.04
IP(EA), eV:	-7.96(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]non-3-ene

Drug info:

PubChemData

Smile

CN1C=CC2(CCCC1C2)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations