Geometry & MOs

Info

ID:	366905
PubChem CID:	127321814
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	5.91
IP(EA), eV:	-8.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations