Geometry & MOs

Info

ID:	139933
PubChem CID:	52619220
Reduced:	BrN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-48.02
Dipole, Da:	4.4
IP(EA), eV:	-9.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(2-methyl-3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(=O)N[C@@H](C)C2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations