Geometry & MOs

Info

ID:	366849
PubChem CID:	127320537
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	2.7
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylazepan-1-yl)-2-methylsulfonylethanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CN=C(S2)C

DOS

IR

Vibrations