Geometry & MOs

Info

ID:	282928
PubChem CID:	103946031
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	2.97
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)C

DOS

IR

Vibrations