Geometry & MOs

Info

ID:	15243
PubChem CID:	434489
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-8.4
Dipole, Da:	2.53
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

Drug info:

PubChemData

Smile

CN1C2CCC1C=C(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations