Geometry & MOs

Info

ID:	35384
PubChem CID:	7979791
Reduced:	BrN2O2H13C19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	24.01
Dipole, Da:	3.74
IP(EA), eV:	-9.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

DOS

IR

Vibrations