Geometry & MOs

Info

ID:	315063
PubChem CID:	126624311
Reduced:	NOC24H27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	2.28
IP(EA), eV:	-7.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7R)-3-butoxy-1-ethyl-4,7-dimethyl-2-oxa-6-azabicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2CC4CCC3C4)CC(C)(C5=CC=CC=C5)O

DOS

IR

Vibrations