Geometry & MOs

Info

ID:	23750
PubChem CID:	605885
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	4.75
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoacetyl)-5-(diethylamino)phenyl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C(=O)CBr)OC(=O)C

DOS

IR

Vibrations