Geometry & MOs

Info

ID:	81734
PubChem CID:	49855067
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	430.157869
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	1.21
IP(EA), eV:	-8.23(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenoxy)methyl]-3-ethyl-1-(4-pyrrolidin-1-ylphenyl)-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1CC2C(C2(C1)C3=CC=C(C=C3)N4CCOCC4)COC

DOS

IR

Vibrations