Geometry & MOs

Info

ID:	292265
PubChem CID:	114781124
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	311.095807
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	3.29
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CC(OC(C2)(C)C)CCl

DOS

IR

Vibrations