Geometry & MOs

Info

ID:	292264
PubChem CID:	114781100
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	4.08
IP(EA), eV:	-8.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CBr)C2=NC=CN(C2=O)C3CC3)C

DOS

IR

Vibrations