Geometry & MOs

Info

ID:	340945
PubChem CID:	127263380
Reduced:	BrON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	11.06
Dipole, Da:	5.6
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-azaspiro[4.5]decan-3-ylmethyl acetate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Br)C2CN(CC2N)CC3=CC=CC=C3

DOS

IR

Vibrations