Geometry & MOs

Info

ID:	366948
PubChem CID:	127321934
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	5.08
IP(EA), eV:	-9.24(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)C3CCOCC3

DOS

IR

Vibrations