Geometry & MOs

Info

ID:	81731
PubChem CID:	49855064
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	2.79
IP(EA), eV:	-8.01(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1C2C1(CNC2)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations