Geometry & MOs

Info

ID:	35423
PubChem CID:	7979836
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.25
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NNC(=O)C1=CC(=CC(=C1)OC)OC)C2=CC=CC=C2

DOS

IR

Vibrations