Geometry & MOs

Info

ID:	145455
PubChem CID:	53527749
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	3.01
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-1-(2-methylmorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)NC2CCCC2

DOS

IR

Vibrations