Geometry & MOs

Info

ID:	272710
PubChem CID:	103752543
Reduced:	BrON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromopyridin-4-yl)-(3,3-dimethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=NC=C1)Br)CN2CCCCC2

DOS

IR

Vibrations