Geometry & MOs

Info

ID:	223448
PubChem CID:	85335057
Reduced:	ON8C18H22 (1)
Stoich.:	AB8C18D22 (1)
Weight, g/mol:	359.14522
ΔH_f, kcal/mol:	89.07
Dipole, Da:	1.19
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CN(C1CCC2C(C1)CNN2)C3=NC4=C(C=CN=C4)C(=N3)NC5=COC=N5

DOS

IR

Vibrations