Geometry & MOs

Info

ID:	294715
PubChem CID:	117484839
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	300.01095
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	6.28
IP(EA), eV:	-9.26(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-bromo-6-hydroxy-2-[2-(methylamino)acetyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C(=CC(=C2CCCO)Br)C=O

DOS

IR

Vibrations