Geometry & MOs

Info

ID:	124373
PubChem CID:	50880902
Reduced:	BrN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	368.033062
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	6.47
IP(EA), eV:	-9.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-(2,6-dimethyl-4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)COC2=CC=C(C=C2)Br)C)[N+](=O)[O-]

DOS

IR

Vibrations