Geometry & MOs

Info

ID:	277688
PubChem CID:	103830367
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations