Geometry & MOs

Info

ID:	134083
PubChem CID:	51639711
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	3.97
IP(EA), eV:	-9.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)[C@H](C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations