Geometry & MOs

Info

ID:	81791
PubChem CID:	49855162
Reduced:	N3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	412.251464
ΔH_f, kcal/mol:	66.44
Dipole, Da:	8.88
IP(EA), eV:	-8.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

DOS

IR

Vibrations