Geometry & MOs

Info

ID:	39453
PubChem CID:	8140854
Reduced:	BrClN2O2H16C17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	3.67
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations