Geometry & MOs

Info

ID:	124377
PubChem CID:	50880957
Reduced:	Br2N2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	6.94
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,6-dimethylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)COC2=C(C=C(C=C2C)Br)Br)C)[N+](=O)[O-]

DOS

IR

Vibrations