Geometry & MOs

Info

ID:	271645
PubChem CID:	103687317
Reduced:	NSBr2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	3.66
IP(EA), eV:	-9.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dihydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC(C)(CNC(=O)C1=CC(=C(S1)Br)Br)O

DOS

IR

Vibrations