Geometry & MOs

Info

ID:	254134
PubChem CID:	103122938
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	7.35
IP(EA), eV:	-9.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCCCC2CBr

DOS

IR

Vibrations