Geometry & MOs

Info

ID:	81732
PubChem CID:	49855065
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	-8.81
Dipole, Da:	2.22
IP(EA), eV:	-7.93(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-6-(methoxymethyl)-1-(4-piperidin-1-ylphenyl)-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1CC2C(C2(C1)C3=CC=C(C=C3)N4CCCC4)COC

DOS

IR

Vibrations