Geometry & MOs

Info

ID:	436958
PubChem CID:	135213283
Reduced:	BrN2O3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	346.309647
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	4.75
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,7-diazaspiro[3.5]nonan-2-yl)propyl]-3-propan-2-yl-3,9-diazatricyclo[5.3.0.01,5]decane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)O

DOS

IR

Vibrations