Geometry & MOs

Info

ID:	81730
PubChem CID:	49855062
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	70.17
Dipole, Da:	6.45
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)OC)/C(=C/C3=CN=CC=C3)/C#N

DOS

IR

Vibrations