Geometry & MOs

Info

ID:	37222
PubChem CID:	8018457
Reduced:	BrNO3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	1.12
IP(EA), eV:	-10.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations