Geometry & MOs

Info

ID:	366936
PubChem CID:	127321922
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	7.75
IP(EA), eV:	-9.48(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations