Geometry & MOs

Info

ID:	441694
PubChem CID:	135240880
Reduced:	BrN3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	76.1
Dipole, Da:	2.21
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoyl)-3-(methylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1C#N)C2=CC=CN3C2=C(C=N3)Br

DOS

IR

Vibrations